2-Methyl-5-[(1E)-2-nitroprop-1-en-1-yl]cyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
59953-56-9- Standard SMILES
CC1=CC(=O)C(/C=C(\C)[N+](=O)[O-])=CC1=O- InChIKey
ZFKNLSXWJGXOPL-QPJJXVBHSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- 2-Methyl-5-[(1E)-2-nitroprop-1-en-1-yl]cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-methyl-5-[(E)-2-nitroprop-1-enyl]cyclohexa-2,5-diene-1,4-dione
Names & synonyms
NSC29068059953-56-9DTXSID004215142-Methyl-5-[(1E)-2-nitroprop-1-en-1-yl]cyclohexa-2,5-diene-1,4-dioneNSC-2906802-methyl-5-[(E)-2-nitroprop-1-enyl]-1,4-benzoquinone2-Methyl-5-[(1E)-2-nitroprop-1-en-1-yl]benzo-1,4-quinone
Database identifiers
- CAS
59953-56-9- PubChem CID
- 5963343
- DTXSID
DTXSID00421514
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 435
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Related reactions
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Compound notes
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