Basic information
- CAS
1370-52-1- Standard SMILES
C1=CCC(c2ccccc2)=CC1- InChIKey
CNALYQPYMGMRKP-UHFFFAOYSA-N- Molecular formula
- C12H12
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.09390038
Names & identifiers
- Preferred name
- 2-Phenyl-1,4-cyclohexadiene
- IUPAC
- cyclohexa-1,4-dien-1-ylbenzene
- English name
- 2-Phenyl-1,4-cyclohexadiene
- Molecular formula
- C12H12
- Molecular weight
- 156.22
Names & synonyms
2-PHENYL-1,4-CYCLOHEXADIENE13703-52-11370-52-1cyclohexa-1,4-dien-1-ylbenzene1,4-CYCLOHEXADIEN-1-YLBENZENEBenzene, (1,4-cyclohexadien-1-yl)-1-phenylcyclohexa-1,4-diene2,5-Dihydro-1,1'-biphenylSCHEMBL3224933DTXSID10929657CNALYQPYMGMRKP-UHFFFAOYSA-N1,4-Cyclohexadien-1-ylbenzene #
Show more names
1,4-CyclohexadienylbenzeneBenzene, 1,4-cyclohexadien-1-yl-
Database identifiers
- CAS
1370-52-1、13703-52-1- PubChem CID
- 14948
- DTXSID
DTXSID10929657- Nikkaji
- J100.205H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 237.4 · 237.4±40.0 °C(Predicted)
- Density
- 1.006 · 1.006±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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