2,3,4,4a,10,10a-Hexahydro-1H-phenanthren-9-one
Basic information
- CAS
19634-93-6- Standard SMILES
O=C1CC2CCCCC2c2ccccc21- InChIKey
KIZNQTIYWIVDBA-UHFFFAOYSA-N- Molecular formula
- C14H16O
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.12011513
Names & identifiers
- Preferred name
- 2,3,4,4a,10,10a-Hexahydro-1H-phenanthren-9-one
- IUPAC
- 2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one
- English name
- 9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-, (4aR,10aR)-rel-
- Molecular formula
- C14H16O
- Molecular weight
- 200.28
Names & synonyms
19634-93-62,3,4,4a,10,10a-Hexahydro-1H-phenanthren-9-oneNSC1536622,3,4,4a,10,10a-Hexahydrophenanthren-9(1H)-oneSCHEMBL10407186DTXSID80941402NSC-1536622,3,4,4a,10,10a-hexahydro-9(1H)phenanthrenone2,3,4,4a,10,10a-Hexahydro-9(1H)-phenanthrenone #1,2,3,4,4a,9,10,10a-(trans-4a,10a)-octahydro-9-oxophenanthrene(4AR,10AR)-2,3,4,4A,10,10A-HEXAHYDRO-9(1H)-PHENANTHRENONE9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-, (4aR,10aR)-rel-
Database identifiers
- CAS
19634-93-6- PubChem CID
- 290358
- DTXSID
DTXSID80941402- Nikkaji
- J758.100I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 160.5 · 160.5-163.0 °C (decomp)(Solv: ligroine (8032-32-4))
- Boiling point
- 130 · 130-131 °C(Press: 1 Torr)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…