6,8-Dimethyl-2H-3,1-benzoxazine-2,4(1H)-dione

C10H9NO3CAS 56934-87-3191.19 g/mol

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OOONH

Properties

Molecular formula
C10H9NO3
Molar mass
191.19 g/mol
Exact mass
191.0582 Da
logP
1.10Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
56934-87-3
SMILES
CC1=CC(=C2C(=C1)C(=O)OC(=O)N2)C
InChIKey
ADHBZSJTJJYPLQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3/c1-5-3-6(2)8-7(4-5)9(12)14-10(13)11-8/h3-4H,1-2H3,(H,11,13)

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Names and synonyms

1 names
  • 3,5-Dimethylisatoic anhydride

Work with 6,8-Dimethyl-2H-3,1-benzoxazine-2,4(1H)-dione

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-Methyl-isatoic anhydride66176-17-861 % similar 6,7-Dimethoxy-2H-3,1-benzoxazine-2,4(1H)-dione20197-92-641 % similar 5-Aminoisatoic anhydride169037-24-539 % similar 5-Hydroxy isatoic anhydride195986-91-539 % similar 5-Fluoroisatonic anhydride321-69-739 % similar 4-Chloroisatoic anhydride40928-13-039 % similar 5-Bromoisatoic anhydride4692-98-239 % similar 4-Nitro-isatoic anhydride63480-10-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxy-1H-indole-3-carboxylic acid10242-01-0 4-Methoxy-1H-indole-2-carboxylic acid103260-65-7 7-Methoxy-1H-indole-3-carboxylic acid128717-77-1 5-Hydroxyindoleacetic acid1321-73-9 2-Oxindole-6-carboxylic acid methyl ester14192-26-8 (S)-(-)-4-Benzyloxazolidine-2,5-dione14825-82-2 6-Methoxy-1H-indole-2-carboxylic acid16732-73-3 Methyl oxindole-5-carboxylate199328-10-4

Elsewhere

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