chempirical

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

C10H8O4CAS 69716-04-7192.17 g/mol

Open in Covalent MOL file
HOOOOH
Carboxylic acidPhenol

Properties

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

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
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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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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