2-(6-Hydroxy-1-benzofuran-3-yl) acetic acid

C₁₀H₈O₄CAS 69716-04-7192.17 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₁₀H₈O₄
Molar mass: 192.17 g/mol
Exact mass: 192.0423 Da
logP: 1.77Crippen estimate
Polar surface area: 70.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

69716-04-7

SMILES

C1=CC2=C(C=C1O)OC=C2CC(=O)O

InChIKey

ZEMXZWJZCWCPBM-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O4/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4-5,11H,3H2,(H,12,13)

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

Names and synonyms

1 names

2-(6-Hydroxy-1-benzofuran-3-yl)acetic acid

Work with 2-(6-Hydroxy-1-benzofuran-3-yl) acetic 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

7-Hydroxycoumarin-4-acetic acid6950-82-967 % similar Benzo[B]furan-3-ylacetic acid64175-51-563 % similar Homogentisic acid451-13-856 % similar 5-Hydroxyindoleacetic acid1321-73-952 % similar 5-Hydroxyindoleacetic acid54-16-052 % similar 7-Hydroxy-4-methyl-3-coumarinylacetic acid5852-10-851 % similar 4-Hydroxyphenylacetic acid156-38-747 % similar 3'-Hydroxyphenylacetic acid621-37-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Noreugenin1013-69-0 5-Methoxybenzofuran-2-carboxylic acid10242-08-7 4-(2-Carboxyethenyl)benzoic acid19675-63-9 5,7-Dihydroxy-4-methylcoumarin2107-76-8 7,8-Dihydroxy-4-methylcoumarin2107-77-9 2-Ethenylbenzene-1,4-dicarboxylic acid216431-29-7 Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate23405-32-5 3′,4′-Methylenedioxycinnamic acid2373-80-0

Elsewhere

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