5-Methoxybenzofuran-2-carboxylic acid

C10H8O4CAS 10242-08-7192.17 g/mol

Open in Covalent MOL file
OOOOH
Carboxylic acidEther

Properties

Molecular formula
C10H8O4
Molar mass
192.17 g/mol
Exact mass
192.0423 Da
Melting point
212–213 °C
logP
2.14Crippen estimate
Polar surface area
59.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
10242-08-7
SMILES
COc1ccc2oc(C(=O)O)cc2c1
InChIKey
XZELWEMGWISCTP-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

6 names
  • 2-Benzofurancarboxylic acid, 5-methoxy-
  • Coumarilic acid, 5-methoxy-
  • 5-Methoxy-2-benzofurancarboxylic acid
  • 5-Methoxycoumarilic acid
  • NSC 149912
  • 5-Methoxybenzo[b]furan-2-carboxylic acid

Work with 5-Methoxybenzofuran-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

2-Benzofurancarboxylic acid496-41-362 % similar 5-Chloro-2-benzofurancarboxylic acid10242-10-160 % similar 5-Bromo-2-benzofurancarboxylic acid10242-11-260 % similar 6-Methoxy-2-naphthoic acid2471-70-757 % similar 6-Methoxy-1-naphthoic acid36112-61-556 % similar 7-Methoxy-1-benzofuran-2-carboxylic acid4790-79-855 % similar 4-Methoxyphthalic acid1885-13-854 % similar 5-(4-Methoxyphenyl)-2-furoic acid52938-99-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Noreugenin1013-69-0 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 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid4743-58-2

Elsewhere

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