Basic information
- CAS
66842-41-9- Standard SMILES
c1ccc2c(c1)ccc1c3ccccc3c(C3CO3)cc21- InChIKey
IXNJEDIJJZHXAI-UHFFFAOYSA-N- Molecular formula
- C20H14O
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.10446507
Names & identifiers
- Preferred name
- 6-Chrysenyloxirane
- IUPAC
- 2-chrysen-6-yloxirane
- English name
- 6-CHRYSENYLOXIRANE
- Molecular formula
- C20H14O
- Molecular weight
- 270.32
Names & synonyms
6-ChrysenyloxiraneOxirane, 6-chrysenyl-66842-41-9798V00JLD06-(Epoxyethyl)chryseneBRN 1382756CHRYSENE, 6-(EPOXYETHYL)-2-(CHRYSEN-6-YL)OXIRANE5-17-02-00507 (Beilstein Handbook Reference)UNII-798V00JLD0DTXSID90985438OXIRANE, 2-(6-CHRYSENYL)-
Show more names
6-Oxiranylchrysene
Q27266735
Database identifiers
- CAS
66842-41-9- PubChem CID
- 48133
- DTXSID
DTXSID90985438- UNII
- 798V00JLD0
- Nikkaji
- J75.137E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Melting point
- 155 · 155-156 °C
- Boiling point
- 511.2 · 511.2±19.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- FDA UNII
- 798 V00JLD0 · 798V00JLD0
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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