Basic information
- CAS
77417-07-3- Standard SMILES
Cc1cc(C#N)c2ccccc2c1- InChIKey
FOSFPMKFTSULBQ-UHFFFAOYSA-N- Molecular formula
- C12H9N
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.07349929
Names & identifiers
- Preferred name
- 3-Methylnaphthalene-1-carbonitrile
- IUPAC
- 3-methylnaphthalene-1-carbonitrile
Names & synonyms
3-methylnaphthalene-1-carbonitrile77417-07-371235-72-8SCHEMBL12316907SCHEMBL27921773DTXSID40998634Naphthalene-1-carbonitrile, 3-methyl-DB-083818
Database identifiers
- CAS
77417-07-3- PubChem CID
- 53661
- DTXSID
DTXSID40998634
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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