7-Methylcoumarin

C10H8O2CAS 2445-83-2160.17 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
128 °C
logP
2.10Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
2445-83-2
SMILES
Cc1ccc2ccc(=O)oc2c1
InChIKey
DLHXRDUXNVEIEY-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3

Weigh it out

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

Names and synonyms

6 names
  • 2H-1-Benzopyran-2-one, 7-methyl-
  • Coumarin, 7-methyl-
  • 7-Methyl-2H-1-benzopyran-2-one
  • NSC 19511
  • 7-Methylchromen-2-one
  • 7-Methyl-2H-chromen-2-one

Work with 7-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Methylcoumarin92-48-876 % similar Umbelliferone93-35-656 % similar Herniarin531-59-956 % similar Coumarin91-64-553 % similar Aesculetin305-01-152 % similar Scoparone120-08-151 % similar 7-Ethoxycoumarin31005-02-451 % similar Psoralen66-97-750 % 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 Methyl 4-ethynylbenzoate3034-86-4 Phenylpropynoic acid methyl ester4891-38-7 2H-1-Benzopyran-3-carboxaldehyde51593-69-2 1,8-Dihydroxynaphthalene569-42-6 1,4-Naphthalenediol571-60-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook