Basic information
- CAS
4974-44-1- Standard SMILES
N#CCC(=O)NN=Cc1ccccc1- InChIKey
INMVSZQSMSATPX-UHFFFAOYSA-N- Molecular formula
- C10H9N3O
- Average molar mass
- 187.2 g/mol
- Monoisotopic mass
- 187.07456192
Names & identifiers
- Preferred name
- Acetic acid, 2-cyano-, 2-(phenylmethylene)hydrazide
- IUPAC
- N-(benzylideneamino)-2-cyanoacetamide
Names & synonyms
Acetic acid, 2-cyano-, 2-(phenylmethylene)hydrazideRefChem:3165154974-44-12-cyano-N'-(phenylmethylidene)acetohydrazideN'-benzylidene-2-cyanoacetohydrazideDTXSID101224452AKOS030245246
Database identifiers
- CAS
4974-44-1- PubChem CID
- 21077
- DTXSID
DTXSID101224452
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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