Basic information
- CAS
91119-95-8- Standard SMILES
COC(=O)CN1C(=O)COc2ccc(C(C)=O)cc21- InChIKey
NFYSFNBYBHZWAL-UHFFFAOYSA-N- Molecular formula
- C13H13NO5
- Average molar mass
- 263.25 g/mol
- Monoisotopic mass
- 263.07937252
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester
- IUPAC
- methyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetate
Names & synonyms
91119-95-84H-1,4-BENZOXAZINE-4-ACETIC ACID, 6-ACETYL-2,3-DIHYDRO-3-OXO-, METHYL ESTERRefChem:1071811BRN 45137916-Acetyl-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-acetic acid methyl esterDTXSID60919942methyl (6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
Database identifiers
- CAS
91119-95-8- PubChem CID
- 56181
- DTXSID
DTXSID60919942
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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