Basic information
- CAS
89814-31-3- Standard SMILES
COC(=O)c1ccc(C=Nc2cccnc2)cc1- InChIKey
TUMXVPSNXIGYPF-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.08987763
Names & identifiers
- Preferred name
- Methyl 4-{(E)-[(pyridin-3-yl)imino]methyl}benzoate
- IUPAC
- methyl 4-(pyridin-3-yliminomethyl)benzoate
Names & synonyms
89814-31-3Methyl 4-{(E)-[(pyridin-3-yl)imino]methyl}benzoateDTXSID60755549
Database identifiers
- CAS
89814-31-3- PubChem CID
- 71326331
- DTXSID
DTXSID60755549
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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