Basic information
- Standard SMILES
COC(=N)c1ccc(C#N)cc1- InChIKey
RZDRKYSQFIHFJC-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
Names & identifiers
- Preferred name
- Methyl 4-cyanobenzenecarboximidate
- IUPAC
- methyl 4-cyanobenzenecarboximidate
Names & synonyms
SCHEMBL9220626methyl 4-cyanobenzenecarboximidateRZDRKYSQFIHFJC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 19734579
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Related reactions
3 records
Compound notes
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