2-Methyl-4H-3,1-benzoxazin-4-one

C9H7NO2CAS 525-76-8161.16 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C9H7NO2
Molar mass
161.16 g/mol
Exact mass
161.0477 Da
Melting point
77–80 °C
Boiling point
144–145 °C (at 12 Torr)
logP
1.50Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
525-76-8
SMILES
Cc1nc2ccccc2c(=O)o1
InChIKey
WMQSKECCMQRJRX-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 4H-3,1-Benzoxazin-4-one, 2-methyl-
  • 2-Methyl-3,1-benzoxazin-4-one
  • 2-Methyl-3,1-benzoxaza-4-one
  • Acetanthranil
  • Acetylanthranyl
  • 2-Methyl-4-oxo-4H-3,1-benzoxazine
  • Acetylanthranil
  • 2-Methyl-3,1-benzoxazine-4-one
  • 2-Methyl-4-oxo-3,1-benzoxazine
  • NSC 10119
  • NSC 521353
  • 2-Methylbenzo[1,3]oxazin-4-one
  • 2-Methyl-4H-benzo[d][1,3]oxazin-4-one

Work with 2-Methyl-4H-3,1-benzoxazin-4-one

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

Isatoic anhydride118-48-959 % similar UV 363818600-59-459 % similar 2-Methylbenzoxazole95-21-653 % similar 9-Methylacridine611-64-348 % similar Diphenic anhydride6050-13-147 % similar 2-Methylnaphth[2,3-d]oxazole20686-66-243 % similar 2-Methylnaphth[1,2-d]oxazole85-15-441 % similar 2-Methyl-5-phenylbenzoxazole61931-68-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Phenyl-5(4H)-isoxazolone1076-59-1 8-Hydroxyquinoline N-oxide1127-45-3 7-Methylisatin1127-59-9 Methyl 4-cyanobenzoate1129-35-7 Azlactone1199-01-5 Methyl m-cyanobenzoate13531-48-1 Indole-2-carboxylic acid1477-50-5 8-Hydroxyquinolin-2(1H)-one15450-76-7

Elsewhere

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