6-Methylcoumarin
Properties
- Molecular formula
- C10H8O2
- Molar mass
- 160.17 g/mol
- Exact mass
- 160.0524 Da
- Melting point
- 76.5 °C
- Boiling point
- 304 °C
- Flash point
- 130 °C
- Water solubility
- insoluble
- logP
- 2.10Crippen estimate
- Polar surface area
- 30.2 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H319 Causes serious eye irritation95% of notifiers
Aggregated from 1,613 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501
Identifiers
CAS number
92-48-8SMILES
Cc1ccc2oc(=O)ccc2c1InChIKey
FXFYOPQLGGEACP-UHFFFAOYSA-NInChI
InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2H-1-Benzopyran-2-one, 6-methyl-
- Coumarin, 6-methyl-
- 6-Methyl-2H-1-benzopyran-2-one
- 6-MC
- 6-Methylbenzopyrone
- 6-Methylcoumarinic anhydride
- Toncarine
- NSC 5870
- 6-Methyl-2H-chromen-2-one
Work with 6-Methylcoumarin
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
6-Hydroxycoumarin6093-68-158 % similar
6-Formaldehydecoumarin51690-26-754 % similar
6-Aminocoumarin hydrochloride63989-79-753 % similar
Coumarin91-64-552 % similar
4-Hydroxy-6-methylcoumarin13252-83-051 % similar
Coumarin-6-sulfonyl chloride10543-42-750 % similar
Scoparone120-08-150 % similar
6-Nitrocoumarin2725-81-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.