6,7-Dimethoxy-2H-3,1-benzoxazine-2,4(1H)-dione

C10H9NO5CAS 20197-92-6223.18 g/mol

Open in Covalent MOL file
OOOONHO
Ether

Properties

Molecular formula
C10H9NO5
Molar mass
223.18 g/mol
Exact mass
223.0481 Da
logP
0.50Crippen estimate
Polar surface area
81.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

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
20197-92-6
SMILES
COC1=C(C=C2C(=C1)C(=O)OC(=O)N2)OC
InChIKey
SHWCMBUPQTWNES-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO5/c1-14-7-3-5-6(4-8(7)15-2)11-10(13)16-9(5)12/h3-4H,1-2H3,(H,11,13)

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Names and synonyms

1 names
  • 4,5-Dimethoxy-isatoic anhydride

Work with 6,7-Dimethoxy-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

5-Aminoisatoic anhydride169037-24-549 % similar 5-Hydroxy isatoic anhydride195986-91-549 % similar 5-Fluoroisatonic anhydride321-69-749 % similar 4-Chloroisatoic anhydride40928-13-049 % similar 5-Bromoisatoic anhydride4692-98-249 % similar 4-Nitro-isatoic anhydride63480-10-443 % similar 4-Carboxylic-isatoic anhydride77423-14-443 % similar 6,7-Dimethoxy-4-hydroxyquinoline13425-93-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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