Basic information
- CAS
539-79-7- Standard SMILES
C=C1C=CC=CC=C1- InChIKey
GGKMDDDYCSVHMU-UHFFFAOYSA-N- Molecular formula
- C8H8
- Average molar mass
- 104.15 g/mol
- Monoisotopic mass
- 104.06260026
Names & identifiers
- Preferred name
- 7-Methylene-1,3,5-cycloheptatriene
- IUPAC
- 7-methylidenecyclohepta-1,3,5-triene
Names & synonyms
7-methylene-1,3,5-cycloheptatriene539-79-7RefChem:1074499Heptafulvene7-methylidenecyclohepta-1,3,5-triene7-methylenecyclohepta-1,3,5-trieneDTXSID309686891,3,5-cycloheptatriene, 7-methylene-Q25100985InChI=1/C8H8/c1-8-6-4-2-3-5-7-8/h2-7H,1H
Database identifiers
- CAS
539-79-7- PubChem CID
- 136351
- DTXSID
DTXSID30968689- Nikkaji
- J840.255H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
SpringerMaterials PropertiesElectric dipole moment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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