Basic information
- CAS
19561-31-0- Standard SMILES
C1=Cc2cccc3c2=c2c(cccc2=C1)CC=3- InChIKey
MZJKHQKKQFRCFR-UHFFFAOYSA-N- Molecular formula
- C17H12
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.09390038
Names & identifiers
- Preferred name
- 4H-Cyclohepta(def)phenanthrene
- IUPAC
- tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene
Names & synonyms
4H-CYCLOHEPTA(DEF)PHENANTHRENE4H-Cyclohepta[def]phenanthrene19561-31-0DTXSID90173237
Database identifiers
- CAS
19561-31-0- PubChem CID
- 29660
- DTXSID
DTXSID90173237- Nikkaji
- J1.608.467K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 650
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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