Basic information
- CAS
63625-95-6- Standard SMILES
N#CCC1=Cc2ccccc2CC1- InChIKey
QTADNCWTDKLYQH-UHFFFAOYSA-N- Molecular formula
- C12H11N
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.08914936
Names & identifiers
- Preferred name
- 2-(3,4-Dihydronaphthalen-2-yl)acetonitrile
- IUPAC
- 2-(3,4-dihydronaphthalen-2-yl)acetonitrile
Names & synonyms
2-(3,4-dihydronaphthalen-2-yl)acetonitrile63625-95-6NSC233857SCHEMBL10395520DTXSID50310868NSC-233857(3,4-Dihydronaphthalen-2-yl)acetonitrile
Database identifiers
- CAS
63625-95-6- PubChem CID
- 314641
- DTXSID
DTXSID50310868
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…