2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid

HCID 647255
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Basic information

CAS
103204-80-4
Standard SMILES
CC1Cc2cc(C(=O)O)ccc2O1
InChIKey
NXNQXQFRCVUXIN-UHFFFAOYSA-N
Molecular formula
C10H10O3
Average molar mass
178.18 g/mol
Monoisotopic mass
178.06299418

Names & identifiers

Preferred name
2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
IUPAC
2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
English name
2-Methyl-2,3-dihydro-benzofuran-5-carboxylic acid
Molecular formula
C10H10O3
Molecular weight
178.18

Names & synonyms

103204-80-42-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acidDTXSID50349436RefChem:263063DTXCID90300506837-599-02-Methyl-2,3-dihydro-benzofuran-5-carboxylic acid2-Methyl-2,3-dihydrobenzofuran-5-carboxylic acidMFCD031104442,3-Dihydro-2-methyl-5-benzofurancarboxylic acid5-Benzofurancarboxylic acid, 2,3-dihydro-2-methyl-2-methyl-2,3-dihydrobenzo[b]furan-5-carboxylic acid
Show more names
TIMTEC-BB SBB010622
5-carboxy-2-methylcoumaranMLS000073306BAS 03841123ChemDiv2_003463Oprea1_358841Oprea1_600844SCHEMBL8690783CHEMBL1478537

Database identifiers

CAS
103204-80-4
PubChem CID
647255
DTXSID
DTXSID50349436
ChEMBL
CHEMBL1478537
EC Number
837-599-0

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
149 · 149-150 °C
Boiling point
333.1 · 333.1±31.0 °C(Predicted)
Density
1.254 · 1.254±0.06 g/cm3(Predicted)
pka
4.55 · 4.55±0.40(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2932990090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
hazard_class
IRRITANT

Chemistry & industry

Suppliers10 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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