2H-1,4-Benzoxazin-3(4H)-one, 4-(acetyloxy)-7-methoxy-
Basic information
- CAS
72001-30-0- Standard SMILES
COc1ccc2c(c1)OCC(=O)N2OC(C)=O- InChIKey
BIKOZSDJAALHBI-UHFFFAOYSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.06372245
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazin-3(4H)-one, 4-(acetyloxy)-7-methoxy-
- IUPAC
- (7-methoxy-3-oxo-1,4-benzoxazin-4-yl) acetate
- English name
- 4-Acetoxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
- Molecular weight
- 0
Names & synonyms
72001-30-04-Acetoxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one2H-1,4-BENZOXAZIN-3(4H)-ONE, 4-(ACETYLOXY)-7-METHOXY-BRN 11328324-(Acetyloxy)-7-methoxy-2H-1,4-benzoxazin-3(4H)-oneSCHEMBL4246994DTXSID602222867-Methoxy-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl acetate
Database identifiers
- CAS
72001-30-0- PubChem CID
- 51467
- DTXSID
DTXSID60222286- Nikkaji
- J65.941J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
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Related reactions
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Compound notes
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