4-Cyanopent-2-enoic acid
Basic information
- CAS
669051-59-6- Standard SMILES
CC(C#N)C=CC(=O)O- InChIKey
ZAIMKZDRMCUFDL-UHFFFAOYSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.04767847
Names & identifiers
- Preferred name
- 4-Cyanopent-2-enoic acid
- IUPAC
- 4-cyanopent-2-enoic acid
Names & synonyms
4-Cyanopent-2-enoic acid669051-59-6SCHEMBL165708DTXSID70712047
Database identifiers
- CAS
669051-59-6- PubChem CID
- 54536784
- DTXSID
DTXSID70712047
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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