N-(3-Methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
Basic information
- CAS
122842-88-0- Standard SMILES
COC1=CC(=NC(C)=O)C=CC1=O- InChIKey
MZHREPLUWMJOEJ-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- N-(3-Methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
- IUPAC
- N-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
Names & synonyms
122842-88-0N-(3-Methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)acetamideDTXSID30559470N-[(1E)-3-Methoxy-4-oxocyclohexa-2,5-dien-1-ylidene]acetamide
Database identifiers
- CAS
122842-88-0- PubChem CID
- 14367263
- DTXSID
DTXSID30559470- Nikkaji
- J413.106A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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