4-Oxo-4H-1-benzopyran-2-carboxylic acid

C10H6O4CAS 4940-39-0190.15 g/mol

Open in Covalent MOL file
OHOOO
Carboxylic acid

Properties

Molecular formula
C10H6O4
Molar mass
190.15 g/mol
Exact mass
190.0266 Da
Melting point
260 °C (decomposes)
logP
1.49Crippen estimate
Polar surface area
67.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
4940-39-0
SMILES
O=C(O)c1cc(=O)c2ccccc2o1
InChIKey
RVMGXWBCQGAWBR-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)

Weigh it out

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

Names and synonyms

9 names
  • 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-
  • 2-Chromonecarboxylic acid
  • Chromocarb
  • 4-Oxochromene-2-carboxylic acid
  • Atremon
  • LP 1
  • 4-Oxo-4H-benzopyran-2-carboxylic acid
  • 4-Oxo-4H-chromene-2-carboxylic acid
  • Campel

Work with 4-Oxo-4H-1-benzopyran-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

6-Bromochromone-2-carboxylic acid51484-06-167 % similar 6-Methylchromone-2-carboxylic acid5006-44-065 % similar 6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid5006-45-165 % similar 6-Fluoro-4-oxo-4H-1-benzopyran-2-carboxylic acid99199-59-465 % similar 2-Benzofurancarboxylic acid496-41-361 % similar Cromolyn16110-51-350 % similar 3-Methyl-1-benzofuran-2-carboxylic acid24673-56-149 % similar Flavone525-82-649 % 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 Coumarin-3-carboxylic acid531-81-7 6-Carboxycoumarin7734-80-7

Elsewhere

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