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2-Methylindolizine-6-carboxylic acid

HCID 21998718
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
256935-78-1
Standard SMILES
Cc1cc2ccc(C(=O)O)cn2c1
InChIKey
XOOAKEGVFPDCFD-UHFFFAOYSA-N
Molecular formula
C10H9NO2
Average molar mass
175.18 g/mol
Monoisotopic mass
175.06332853

Names & identifiers

Preferred name
2-Methylindolizine-6-carboxylic acid
IUPAC
2-methylindolizine-6-carboxylic acid
English name
2-Methylindolizine-6-carboxylic acid
Molecular formula
C10H9NO2
Molecular weight
175.18

Names & synonyms

2-Methylindolizine-6-carboxylic acid256935-78-12-Methyl-6-indolizinecarboxylic acidDTXSID40621359RefChem:476097DTXCID20572113873-262-4MFCD08056317SCHEMBL78418992-Methylindolizine-6-carboxylicacidGKA93578SBB053506
Show more names
6-Carboxy-2-methylindolizine6-Indolizinecarboxylic acid, 2-methyl-
AKOS023410735TS-02418DB-377644CS-0450158EN300-197331G19497Z1255373258

Database identifiers

CAS
256935-78-1
PubChem CID
21998718
DTXSID
DTXSID40621359
EC Number
873-262-4

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
41.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
217

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
HS Code
2933998090 · 2933998090

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)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers6 total

砌块化学科技(上海)有限公司021-20432219 13918097649 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes