Basic information
- CAS
6522-28-7- Standard SMILES
N#Cc1ccc(C=NO)cc1- InChIKey
XUPNOABKAQYYOD-UHFFFAOYSA-N- Molecular formula
- C8H6N2O
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.04801281
Names & identifiers
- Preferred name
- 4-Cyanobenzaldehyde oxime
- IUPAC
- 4-(hydroxyiminomethyl)benzonitrile
Names & synonyms
4-CYANOBENZALDEHYDE OXIME6522-28-74-(hydroxyiminomethyl)benzonitrile64847-77-44-[(hydroxyimino)methyl]BenzonitrileSCHEMBL1230125SCHEMBL8030301DTXSID80983827XUPNOABKAQYYOD-UHFFFAOYSA-N4-(Hydroxyiminomethyl)-benzonitrileAKOS017263833DA-03984
Show more names
W10686
Database identifiers
- CAS
6522-28-7- PubChem CID
- 5214742
- DTXSID
DTXSID80983827
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
Related reactions
12 records
Compound notes
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