chempirical

7-Methoxycoumarin-4-acetic acid

C12H10O5CAS 62935-72-2234.21 g/mol

Open in Covalent MOL file
OOHOOO
Carboxylic acidEther

Properties

Molecular formula
C12H10O5
Molar mass
234.21 g/mol
Exact mass
234.0528 Da
Melting point
170 °C (decomposes)
logP
1.43Crippen estimate
Polar surface area
76.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
62935-72-2
SMILES
COc1ccc2c(CC(=O)O)cc(=O)oc2c1
InChIKey
ZEKAXIFHLIITGV-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14)

Weigh it out

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

Names and synonyms

7 names
  • 2H-1-Benzopyran-4-acetic acid, 7-methoxy-2-oxo-
  • 7-Methoxy-2-oxo-2H-1-benzopyran-4-acetic acid
  • NSC 378137
  • MCA
  • (7-Methoxy-2-oxo-2H-chromen-4-yl)-acetic acid
  • 2-(7-Methoxy-2-oxo-2H-chromen-4-yl)acetic acid
  • 2-(7-Methoxy-2-oxochromen-4-yl)acetic acid

Work with 7-Methoxycoumarin-4-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

4-Bromomethyl-7-methoxycoumarin35231-44-864 % similar 2,5-Dimethoxyphenylacetic acid1758-25-455 % similar 7-Methoxy-4-methylcoumarin2555-28-455 % similar 2-Bromo-4-methoxybenzeneacetic acid66916-99-253 % similar 5-Methoxyindoleacetic acid3471-31-653 % similar 7-Methoxy-1-naphthaleneacetic acid6836-22-253 % similar 2-Carboxy-4-methoxybenzeneacetic acid52962-25-152 % similar 6-Methoxy-2-naphthylacetic acid23981-47-748 % similar

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

Same formula

Armillarisin A53696-74-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook