Basic information
- CAS
18464-40-9- Standard SMILES
CCOC(=O)CCN1Cc2ccccc2OC1=O- InChIKey
FFYFKABMFYQJCO-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- 2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester
- IUPAC
- ethyl 3-(2-oxo-4H-1,3-benzoxazin-3-yl)propanoate
Names & synonyms
BRN 11376032H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl esterEthyl 2-oxo-2H-1,3-benzoxazine-3(4H)-propionate18464-40-9DTXSID70171599RefChem:267804DTXCID3094090Ethyl 3-(2-oxo-2H-1,3-benzoxazin-3(4H)-yl)propanoate
Database identifiers
- CAS
18464-40-9- PubChem CID
- 205669
- DTXSID
DTXSID70171599
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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