4-Methoxy-3,4-dihydro-2H-1,3-benzoxazin-2-one
Basic information
- CAS
7031-21-2- Standard SMILES
COC1NC(=O)Oc2ccccc21- InChIKey
OAUYTZJEWLBQHM-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- 4-Methoxy-3,4-dihydro-2H-1,3-benzoxazin-2-one
- IUPAC
- 4-methoxy-3,4-dihydro-1,3-benzoxazin-2-one
Names & synonyms
7031-21-2NSC3347034-Methoxy-3,4-dihydro-2H-1,3-benzoxazin-2-oneDTXSID703187402H-1, 3,4-dihydro-4-methoxy-NSC-334703
Database identifiers
- CAS
7031-21-2- PubChem CID
- 333487
- DTXSID
DTXSID70318740
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
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Compound notes
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