Basic information
- CAS
2582-31-2- Standard SMILES
CC1=CC(=O)C=CC1=Nc1ccc(O)cc1- InChIKey
WXFJPCOSLKBFDW-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.07897859
Names & identifiers
- Preferred name
- 4-(4-Hydroxyphenyl)imino-3-methylcyclohexa-2,5-dien-1-one
- IUPAC
- 4-(4-hydroxyphenyl)imino-3-methylcyclohexa-2,5-dien-1-one
Names & synonyms
4-(4-hydroxyphenyl)imino-3-methylcyclohexa-2,5-dien-1-one2582-31-2DTXSID90328205(4E)-4-[(4-Hydroxyphenyl)imino]-3-methylcyclohexa-2,5-dien-1-one
Database identifiers
- CAS
2582-31-2- PubChem CID
- 407906
- DTXSID
DTXSID90328205- Nikkaji
- J1.406.115K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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