9-Anthryloxirane
Basic information
- CAS
61695-73-6- Standard SMILES
c1ccc2c(C3CO3)c3ccccc3cc2c1- InChIKey
WSQHNGOQXGWRRF-UHFFFAOYSA-N- Molecular formula
- C16H12O
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.088815
Overview
structure given in first source
Names & identifiers
- Preferred name
- 9-Anthryloxirane
- IUPAC
- 2-anthracen-9-yloxirane
- English name
- 9-anthryloxirane
- Molecular formula
- C16H12O
- Molecular weight
- 220.27
Names & synonyms
9-AnthryloxiraneOxirane, 9-anthracenyl-61695-73-69-anthracene epoxideRefChem:107761ANTHRACENE, 9-(EPOXYETHYL)-BRN 14278052-(ANTHRACEN-9-YL)OXIRANE5-17-02-00406 (Beilstein Handbook Reference)DTXSID40977267DB-220087Oxirane, 2-(9-anthracenyl)-
Database identifiers
- CAS
61695-73-6- PubChem CID
- 43720
- DTXSID
DTXSID40977267- Nikkaji
- J2.662.791E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 68 · 68-69 °C(Solv: ethanol (64-17-5))
- Boiling point
- 420.7 · 420.7±14.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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