2,3-Dihydrobenzofuran-7-carboxylic acid

C₉H₈O₃CAS 35700-40-4164.16 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₉H₈O₃
Molar mass: 164.16 g/mol
Exact mass: 164.0473 Da
logP: 1.32Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

35700-40-4

SMILES

C1COC2=C1C=CC=C2C(=O)O

InChIKey

UHXBMSNEECJPSX-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2,(H,10,11)

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Names and synonyms

1 names

2,3-Dihydro-1-benzofuran-7-carboxylic acid

Work with 2,3-Dihydrobenzofuran-7-carboxylic 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

1,4-Benzodioxan-5-carboxylic acid4442-53-964 % similar 1,3-Benzodioxole-4-carboxylic acid5768-39-859 % similar 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid4242-18-653 % similar 2-(2-Phenylethyl)benzoic acid4890-85-150 % similar 2-(Phenoxymethyl)benzoic acid724-98-150 % similar 2-(Cyanomethyl)benzoic acid6627-91-449 % similar 2-Ethoxybenzoic acid134-11-248 % similar 2,3-Dimethoxybenzoic acid1521-38-648 % similar

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

Same formula

Carbic anhydride129-64-6 trans-3-Hydroxycinnamic acid14755-02-3 Methyl phenylglyoxylate15206-55-0 Phenylpyruvic acid156-06-9 Methyl 4-formylbenzoate1571-08-0 2,3-Dihydrobenzofuran-2-carboxylic acid1914-60-9 Himic anhydride2746-19-2 7-Methoxy-3H-isobenzofuran-1-one28281-58-5

Elsewhere

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