chempirical

7-Methoxy-1-benzofuran-2-carboxylic acid

C10H8O4CAS 4790-79-8192.17 g/mol

Open in Covalent MOL file
OOOHO
Carboxylic acidEther

Properties

Molecular formula
C10H8O4
Molar mass
192.17 g/mol
Exact mass
192.0423 Da
logP
2.14Crippen estimate
Polar surface area
59.7 Ų
H-bond donors / acceptors
1 / 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
4790-79-8
SMILES
COC1=CC=CC2=C1OC(=C2)C(=O)O
InChIKey
UOCNTRAAJNWDND-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H,11,12)

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Names and synonyms

1 names
  • 7-Methoxybenzofuran-2-carboxylic acid

Work with 7-Methoxy-1-benzofuran-2-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

7-Ethoxybenzofuran-2-carboxylic acid206559-61-770 % similar 1-(7-Methoxy-2-benzofuranyl)ethanone43071-52-968 % similar Ethyl 7-methoxy-1-benzofuran-2-carboxylate50551-58-161 % similar 2,6-Dimethoxybenzoic acid1466-76-854 % similar 2-Methoxybenzoic acid529-75-953 % similar o-Anisic acid579-75-953 % similar 2,3-Dimethoxybenzoic acid1521-38-652 % similar 2-Benzofurancarboxylic acid496-41-351 % 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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