Basic information
- CAS
518-03-6- Standard SMILES
C1=Cc2ccc3c4c(ccc(c24)C=C1)CC3- InChIKey
QFYZOXTVASPGPA-UHFFFAOYSA-N- Molecular formula
- C16H12
- Average molar mass
- 204.27 g/mol
- Monoisotopic mass
- 204.09390038
Names & identifiers
- Preferred name
- Cyclohept(fg)acenaphthylene, 1,2-dihydro-
- IUPAC
- tetracyclo[7.5.2.04,16.012,15]hexadeca-1(15),2,4(16),5,7,9,11-heptaene
Names & synonyms
1,2-dihydrocyclohepta[fg]acenaphthyleneCyclohept(fg)acenaphthylene, 1,2-dihydro-518-03-6cyclohept[fg]acenaphthylene, 1,2-dihydro-acepleiadieneSCHEMBL599042DTXSID80199729Cyclohept[fg]acenaphthylene,1,2-dihydro-InChI=1/C16H12/c1-2-4-12-6-8-14-10-9-13-7-5-11(3-1)15(12)16(13)14/h1-8H,9-10H
Database identifiers
- CAS
518-03-6- PubChem CID
- 136342
- DTXSID
DTXSID80199729- Nikkaji
- J1.913.447D
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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