3-Methylflavone-8-carboxylic acid
Properties
- Molecular formula
- C17H12O4
- Molar mass
- 280.28 g/mol
- Exact mass
- 280.0736 Da
- Melting point
- 215–220 °C
- logP
- 3.47Crippen estimate
- Polar surface area
- 67.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed22.2% of notifiers
- H315 Causes skin irritation77.8% of notifiers
- H319 Causes serious eye irritation88.9% of notifiers
- H335 May cause respiratory irritation77.8% of notifiers
Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3468-01-7SMILES
Cc1c(-c2ccccc2)oc2c(C(=O)O)cccc2c1=OInChIKey
KMMBBZOSQNLLMN-UHFFFAOYSA-NInChI
InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-
- 3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid
- 8-Carboxy-3-methylflavone
- 3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid
- 3-Methyl-4-oxo-2-phenylchromene-8-carboxylic acid
Work with 3-Methylflavone-8-carboxylic acid
Similar compounds
Flavoxate15301-69-657 % similar
Flavoxate hydrochloride3717-88-254 % similar
2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-043 % similar
2,3-Dimethylbenzoic acid603-79-243 % similar
3-Methyl-1-benzofuran-2-carboxylic acid24673-56-142 % similar
3-Amino-2-methylbenzoic acid52130-17-342 % similar
3-Hydroxy-2-methylbenzoic acid603-80-542 % similar
3-Chloro-2-methylbenzoic acid7499-08-342 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.