1,2-Epoxy-1,2,3,4-tetrahydrophenanthrene
Basic information
- CAS
56179-80-7- Standard SMILES
c1ccc2c3c(ccc2c1)C1OC1CC3- InChIKey
WITSIWYHFXIXBC-UHFFFAOYSA-N- Molecular formula
- C14H12O
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.088815
Names & identifiers
- Preferred name
- 1,2-Epoxy-1,2,3,4-tetrahydrophenanthrene
- IUPAC
- 1a,8,9,9a-tetrahydrophenanthro[1,2-b]oxirene
- English name
- Phenanthrene, 1,2-epoxy-1,2,3,4-tetrahydro-
- Molecular formula
- C14H12O
- Molecular weight
- 196.24
Names & synonyms
56179-80-71,2-Epoxy-1,2,3,4-tetrahydrophenanthrene1a,8,9,9a-tetrahydrophenanthro[1,2-b]oxirenePhenanthrene, 1,2-epoxy-1,2,3,4-tetrahydro-DTXSID60971560AKOS006279016Phenanthro[1,2-b]oxirene, 1a,8,9,9a-tetrahydro-
Database identifiers
- CAS
56179-80-7- PubChem CID
- 148773
- DTXSID
DTXSID60971560- Nikkaji
- J69.568H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 90 · 90-91 °C
- Boiling point
- 293.14 °C · 293.14°C (rough estimate)
- Density
- 1.0304 · 1.0304 (rough estimate)
- refractive index
- 1.5385 · 1.5385 (estimate)
- EWG's Food Scores
- 1 · 1
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…