Basic information
- CAS
83536-56-5- Standard SMILES
N#Cc1cc2c3c(cccc3c1)CC2- InChIKey
ZQJJOQCETPIZIR-UHFFFAOYSA-N- Molecular formula
- C13H9N
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.07349929
Names & identifiers
- Preferred name
- 1,2-Dihydroacenaphthylene-4-carbonitrile
- IUPAC
- 1,2-dihydroacenaphthylene-4-carbonitrile
Names & synonyms
83536-56-51,2-dihydroacenaphthylene-4-carbonitrileAcenaphthylenecarbonitrile, 1,2-dihydro-DTXSID901003527
Database identifiers
- CAS
83536-56-5- PubChem CID
- 55037
- DTXSID
DTXSID901003527
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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