Basic information
- CAS
29621-69-0- Standard SMILES
C[C@H](c1ccccc1)C(C#N)C#N- InChIKey
PSAGKLLRDSJIIK-SECBINFHSA-N- Molecular formula
- C11H10N2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.08439833
Names & identifiers
- Preferred name
- [(1S)-1-Phenylethyl]propanedinitrile
- IUPAC
- 2-[(1S)-1-phenylethyl]propanedinitrile
Names & synonyms
29621-69-0[(1S)-1-Phenylethyl]propanedinitrileDTXSID70494972
Database identifiers
- CAS
29621-69-0- PubChem CID
- 12373823
- DTXSID
DTXSID70494972
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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