chempirical

6-Carboxycoumarin

C10H6O4CAS 7734-80-7190.15 g/mol

Open in Covalent MOL file
OOOHO
Carboxylic acid

Properties

Molecular formula
C10H6O4
Molar mass
190.15 g/mol
Exact mass
190.0266 Da
logP
1.49Crippen estimate
Polar surface area
67.5 Ų
H-bond donors / acceptors
1 / 3
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
7734-80-7
SMILES
C1=CC2=C(C=CC(=O)O2)C=C1C(=O)O
InChIKey
GEFDYGOYVXEKBE-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O4/c11-9-4-2-6-5-7(10(12)13)1-3-8(6)14-9/h1-5H,(H,12,13)

Weigh it out

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

Names and synonyms

1 names
  • Coumarin-6-carboxylic acid

Work with 6-Carboxycoumarin

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

2,6-Naphthalenedicarboxylic acid1141-38-459 % similar 6-Hydroxycoumarin6093-68-154 % similar 2-Naphthoic acid93-09-453 % similar Coumalic acid500-05-051 % similar 2-Anthracenecarboxylic acid613-08-151 % similar 1-Benzofuran-6-carboxylic acid77095-51-351 % similar 6-Hydroxy-2-naphthoic acid16712-64-450 % similar 6-Methylcoumarin92-48-850 % similar

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

Same formula

Chromone-3-carboxylic acid39079-62-4 Naphthazarin475-38-7 Alpha-furil492-94-4 4-Oxo-4H-1-benzopyran-2-carboxylic acid4940-39-0 Coumarin-3-carboxylic acid531-81-7

Elsewhere

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