3-Pentenenitrile, 4-(2,5-dimethylphenyl)-, (Z)-
Basic information
- CAS
111594-94-6- Standard SMILES
C/C(=C/CC#N)c1cc(C)ccc1C- InChIKey
PQNXSHINEPXNHA-WZUFQYTHSA-N- Molecular formula
- C13H15N
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.12044948
Names & identifiers
- Preferred name
- 3-Pentenenitrile, 4-(2,5-dimethylphenyl)-, (Z)-
- IUPAC
- (Z)-4-(2,5-dimethylphenyl)pent-3-enenitrile
Names & synonyms
3-Pentenenitrile, 4-(2,5-dimethylphenyl)-, (Z)-DTXSID301241668111594-94-6(3Z)-4-(2,5-Dimethylphenyl)pent-3-enenitrile
Database identifiers
- CAS
111594-94-6- PubChem CID
- 13468539
- DTXSID
DTXSID301241668
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
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Compound notes
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