Benzo[B]furan-3-ylacetic acid

C₁₀H₈O₃CAS 64175-51-5176.17 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₀H₈O₃
Molar mass: 176.17 g/mol
Exact mass: 176.0473 Da
logP: 2.06Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

64175-51-5

SMILES

C1=CC=C2C(=C1)C(=CO2)CC(=O)O

InChIKey

QWMVFCMIUUHJDH-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-(1-Benzofuran-3-yl)acetic acid

Work with Benzo[B]furan-3-ylacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(6-Hydroxy-1-benzofuran-3-yl) acetic acid69716-04-763 % similar 1,2-Benzenediacetic acid7500-53-058 % similar 1-Naphthaleneacetic acid86-87-356 % similar 1,2-Benzisoxazole-3-acetic acid4865-84-354 % similar Benzo[b]thiophene-3-acetic acid1131-09-551 % similar Indole-3-acetic acid87-51-451 % similar 1-Methyl-3-indoleacetic acid1912-48-751 % similar 2-Bromophenylacetic acid18698-97-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenylsuccinic anhydride1131-15-3 2-Formylcinnamic acid130036-17-8 4-Hydroxy-6-methylcoumarin13252-83-0 4-Methoxycourmarin20280-81-3 2H-Chromene-3-carboxylic acid22649-28-1 3-(4-Formylphenyl)-2-propenoic acid23359-08-2 6-Hydroxy-4-methylcoumarin2373-31-1 3-Methyl-1-benzofuran-2-carboxylic acid24673-56-1

Elsewhere

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