N-Methylisatoic anhydride

C9H7NO3CAS 10328-92-4177.16 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C9H7NO3
Molar mass
177.16 g/mol
Exact mass
177.0426 Da
Melting point
177 °C
logP
0.49Crippen estimate
Polar surface area
52.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
10328-92-4
SMILES
Cn1c(=O)oc(=O)c2ccccc21
InChIKey
KJMRWDHBVCNLTQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO3/c1-10-7-5-3-2-4-6(7)8(11)13-9(10)12/h2-5H,1H3

Weigh it out

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

Names and synonyms

10 names
  • 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-
  • Isatoic anhydride, N-methyl-
  • 1-Methyl-2H-3,1-benzoxazine-2,4(1H)-dione
  • N-Methylisatoic acid anhydride
  • NSC 76087
  • N-Methylisatioc anhydride
  • 1-Methyl-4H-3,1-benzoxazine-2,4(1H)dione
  • 1-Methyl-1H-benzo[d][1,3]oxazine-2,4-dione
  • 1-Methyl-3,1-benzoxazine-2,4-dione
  • 1-Methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

Work with N-Methylisatoic anhydride

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

3-Methylbenzo[d]oxazol-2(3H)-one21892-80-865 % similar N-Methylacridone719-54-055 % similar N-Benzylisatoic anhydride35710-05-554 % similar N-Methylcarbazole1484-12-454 % similar N,N'-Dimethylquinacridone19205-19-749 % similar Diphenic anhydride6050-13-148 % similar 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-945 % similar 1,2-Dimethyl-1H-indole-3-carboxaldehyde38292-40-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dihydro-1,4-benzodioxin-6-yl isocyanate100275-94-3 5-Carboxyoxindole102359-00-2 5-Nitro-2-indanone116530-60-0 N-(Hydroxymethyl)phthalimide118-29-6 2-Nitrocinnamaldehyde1466-88-2 4-Nitrocinnamaldehyde1734-79-8 5-Hydroxyindole-2-carboxylic acid21598-06-1 6-Nitroindanone24623-24-3

Elsewhere

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