1,4-Dihydro-1,4-methanonaphthalene-6-carbonitrile
Basic information
- CAS
16513-60-3- Standard SMILES
N#Cc1ccc2c(c1)C1C=CC2C1- InChIKey
JYHOGTDMPYFPGQ-UHFFFAOYSA-N- Molecular formula
- C12H9N
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.07349929
Names & identifiers
- Preferred name
- 1,4-Dihydro-1,4-methanonaphthalene-6-carbonitrile
- IUPAC
- tricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-4-carbonitrile
- English name
- 1,4-Methanonaphthalene-6-carbonitrile, 1,4-dihydro-
- Molecular formula
- C12H9N
- Molecular weight
- 167.21
Names & synonyms
1,4-Dihydro-1,4-methanonaphthalene-6-carbonitrile16513-60-3SCHEMBL11526900DTXSID20937041RCL T201588AKOS0243219791,4-Methanonaphthalene-6-carbonitrile,1,4-dihydro-RCL T2015881,4-Methanonaphthalene-6-carbonitrile, 1,4-dihydro-
Database identifiers
- CAS
16513-60-3- PubChem CID
- 140100
- DTXSID
DTXSID20937041
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 295
Physicochemical properties
- Boiling point
- 280.4 · 280.4±29.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…