Basic information
- CAS
301660-67-3- Standard SMILES
N#CC=Cc1ccc2ccccc2c1- InChIKey
ANIWZMHBWZYPOZ-UHFFFAOYSA-N- Molecular formula
- C13H9N
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.07349929
Names & identifiers
- Preferred name
- 2-Propenenitrile, 3-(2-naphthalenyl)-, (2E)-
- IUPAC
- 3-naphthalen-2-ylprop-2-enenitrile
Names & synonyms
2-Propenenitrile, 3-(2-naphthalenyl)-, (2E)-301660-67-3DTXSID00327426RefChem:266226DTXCID902785393-(naphthalen-2-yl)prop-2-enenitrileSCHEMBL1520052AKOS017436907
Database identifiers
- CAS
301660-67-3- PubChem CID
- 375796
- DTXSID
DTXSID00327426
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- 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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