6-Methylchromone-2-carboxylic acid

C11H8O4CAS 5006-44-0204.18 g/mol

Open in Covalent MOL file
OOOOH
Carboxylic acid

Properties

Molecular formula
C11H8O4
Molar mass
204.18 g/mol
Exact mass
204.0423 Da
logP
1.80Crippen estimate
Polar surface area
67.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
5006-44-0
SMILES
CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O
InChIKey
RKIDLZFIIVDZNX-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)8(12)5-10(15-9)11(13)14/h2-5H,1H3,(H,13,14)

Weigh it out

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

Work with 6-Methylchromone-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 acid51484-06-168 % similar 6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid5006-45-167 % similar 6-Fluoro-4-oxo-4H-1-benzopyran-2-carboxylic acid99199-59-467 % similar 4-Oxo-4H-1-benzopyran-2-carboxylic acid4940-39-065 % similar 6-Methyl-2-phenyl-chromen-4-one29976-75-851 % similar 5-Methoxybenzofuran-2-carboxylic acid10242-08-745 % similar 4-Hydroxy-6-methylcoumarin13252-83-044 % similar 2-Benzofurancarboxylic acid496-41-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Dihydroxy-2-naphthoic acid31519-22-9 3,7-Dihydroxy-2-naphthoic acid83511-07-3 3,5-Dihydroxy-2-naphthalenecarboxylic acid89-35-0

Elsewhere

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