Basic information
- CAS
51088-95-0- Standard SMILES
O=C1C=C2C=C3CCCCC3CC2CC1- InChIKey
XYZZMZJRYYOFLO-UHFFFAOYSA-N- Molecular formula
- C14H18O
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.13576519
Names & identifiers
- Preferred name
- 2(3H)-Anthracenone, 4,4a,5,6,7,8,10,10a-octahydro-
- IUPAC
- 4,4a,5,6,7,8,10,10a-octahydro-3H-anthracen-2-one
Names & synonyms
2(3H)-Anthracenone, 4,4a,5,6,7,8,10,10a-octahydro-51088-95-0DTXSID80344878RefChem:241461DTXCID40295953XYZZMZJRYYOFLO-UHFFFAOYSA-N4,4a,5,6,7,8,10,10a-Octahydroanthracen-2(3H)-one4,4a,5,6,7,8,10,10a-Octahydro-2(3H)-anthracenone #2(4aH)-Anthracenone, 3,4,5,6,7,8,10,10a,-octahydro-
Database identifiers
- CAS
51088-95-0- PubChem CID
- 600070
- DTXSID
DTXSID80344878
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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