Basic information
- CAS
14268-54-3- Standard SMILES
CC(=O)OC=CC#N- InChIKey
WJZYKZUTZHYSLA-UHFFFAOYSA-N- Molecular formula
- C5H5NO2
- Average molar mass
- 111.1 g/mol
- Monoisotopic mass
- 111.0320284
Names & identifiers
- Preferred name
- 3-Cyanopropenyl acetate
- IUPAC
- 2-cyanoethenyl acetate
Names & synonyms
2-cyanoethenyl acetate3-Cyanopropenyl acetate14268-54-3cyanovinyl acetate2-Cyanoethen-1-yl acetateSCHEMBL1571381DTXSID00931587EINECS 238-160-0
Database identifiers
- CAS
14268-54-3- PubChem CID
- 84309
- DTXSID
DTXSID00931587- EC Number
- 238-160-0
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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