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6-Methoxy-1-benzofuran-2-carboxylic acid

HCID 918863
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
50551-61-6
Standard SMILES
COc1ccc2cc(C(=O)O)oc2c1
InChIKey
IQELKSYGXWBQJA-UHFFFAOYSA-N
Molecular formula
C10H8O4
Average molar mass
192.17 g/mol
Monoisotopic mass
192.04225874

Names & identifiers

Preferred name
6-Methoxy-1-benzofuran-2-carboxylic acid
IUPAC
6-methoxy-1-benzofuran-2-carboxylic acid
English name
6-Methoxy-benzofuran-2-carboxylic acid
Molecular formula
C10H8O4
Molecular weight
192.17

Names & synonyms

6-methoxy-1-benzofuran-2-carboxylic acid6-methoxy-2-benzofurancarboxylic acidRefChem:543560989-646-06-methoxybenzofuran-2-carboxylic Acid50551-61-66-methoxy-benzofuran-2-carboxylic acidMFCD062547216-methoxybenzo[b]furan-2-carboxylic acid2-Benzofurancarboxylic acid, 6-methoxy-AKOS BB27SCHEMBL178096
Show more names
CHEMBL4799101DTXSID40358835IQELKSYGXWBQJA-UHFFFAOYSA-NACA551616-methoxybenzofuran-2-carboxylicAcidSBB018784STK317989AKOS000103490

Database identifiers

CAS
50551-61-6
PubChem CID
918863
DTXSID
DTXSID40358835
ChEMBL
CHEMBL4799101
EC Number
989-646-0
Nikkaji
J3.081.498C

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
59.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
228

Physicochemical properties

storage temp.
2 · Storage temp. 2-8°C
Appearance
Off-white to light brown Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
HS Code
2932990090 · 2932990090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2932990090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

Uses6-Methoxybenzofuran-2-carboxylic acid

Suppliers36 total

上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
赛纳斯特化学(欢迎点击联系)021-60343070
湖南氩氡医药科技有限公司13764359345 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海渤腾医药科技有限公司(86) 21 51969655
上海奈亦斯生物科技有限公司18321139117 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
聿锦(天津)科技有限公司13370351217 kungfu1217@1 · [email protected]
上海思阔化学科技有限公司021-33758897 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
上海文嘉生物医药科技有限公司15001899038 · [email protected]
上海固帮新材料科技有限公司021-51317962 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Shanghai Scochem Technology Co., Ltd+86-021-33758897 +86-13701882790 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
郓城恒立生物科技有限公司15552097599 · [email protected]

Related reactions

15 records
New reaction record
HRID 124889 reaction equation
HRID 124889As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 128729 reaction equation
HRID 128729As reactantuspto-grants-1995_11
HRID 247867 reaction equation
HRID 247867As reactantuspto-grants-1993_05
HRID 717706 reaction equation
HRID 717706As productuspto-grants-2015_11
HRID 817041 reaction equation
HRID 817041As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 948503 reaction equation
HRID 948503As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1215275 reaction equation
HRID 1215275As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1464638 reaction equation
HRID 1464638As reactantuspto-grants-1994_04
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Compound notes

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