Basic information
- CAS
67318-22-3- Standard SMILES
CC(=O)CC=Nc1ccccc1- InChIKey
QOUWWRLGNFPVLX-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 2-Butanone, 4-(phenylimino)-
- IUPAC
- 4-phenyliminobutan-2-one
Names & synonyms
2-Butanone, 4-(phenylimino)-67318-22-3DTXSID70328364(4E)-4-(Phenylimino)butan-2-one
Database identifiers
- CAS
67318-22-3- PubChem CID
- 409581
- DTXSID
DTXSID70328364
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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