chempirical

6-Methylcoumarin

C10H8O2CAS 92-48-8160.17 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C10H8O2
Molar mass
160.17 g/mol
Exact mass
160.0524 Da
Melting point
76.5 °C
Boiling point
304 °C
logP
2.10Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
92-48-8
SMILES
Cc1ccc2oc(=O)ccc2c1
InChIKey
FXFYOPQLGGEACP-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3

Weigh 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

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 Aesculetin305-01-150 % similar Herniarin531-59-950 % similar Psoralen66-97-749 % similar

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

Same formula

3-Ethynyl-4-methyl-benzoic acid1001203-03-7 1,3-Dihydroxynaphthalene132-86-5 2-Acetylbenzofuran1646-26-0 7-Methylcoumarin2445-83-2 2H-1-Benzopyran-3-carboxaldehyde51593-69-2 1,8-Dihydroxynaphthalene569-42-6 1,4-Naphthalenediol571-60-8 1,2-Dihydroxynaphthalene574-00-5

Elsewhere

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