Acephenanthrylene
Basic information
- CAS
201-06-9- Standard SMILES
C1=Cc2cc3ccccc3c3cccc1c23- InChIKey
SQFPKRNUGBRTAR-UHFFFAOYSA-N- Molecular formula
- C16H10
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.07825032
Overview
Acephenanthrylene is an ortho- and peri-fused polycyclic arene.
Names & identifiers
- Preferred name
- Acephenanthrylene
- IUPAC
- acephenanthrylene
- English name
- Acephenanthrylene
- Molecular formula
- C16H10
- Molecular weight
- 202.25
Names & synonyms
ACEPHENANTHRYLENE4,5-BenzoacenaphthyleneBenz(e)acenaphthylene201-06-9FBV4SGU2RKDTXSID8075045CHEBI:33085RefChem:108763DTXCID1036200BenzoacenaphthyleneCCRIS 1999BRN 2247468
Show more names
UNII-FBV4SGU2RKSCHEMBL25508SCHEMBL523112SCHEMBL1663825SCHEMBL1664177SCHEMBL10484367SCHEMBL30879493SQFPKRNUGBRTAR-UHFFFAOYSA-N
Database identifiers
- CAS
201-06-9- PubChem CID
- 9143
- DTXSID
DTXSID8075045- ChEBI
CHEBI:33085- UNII
- FBV4SGU2RK
- Nikkaji
- J488.294F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 140 · 140-141 °C
- Boiling point
- 379.4 °C · 379.4 °C
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- FDA UNII
- 4 SGU2RK · FBV4SGU2RK
- EPA Substance Registry System
- Acephenanthrylene (201-06-9)
Chemistry & industry
Additional notes
DefinitionChEBI: Acephenanthrylene is an ortho- and peri-fused polycyclic arene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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