Basic information
- CAS
60966-54-3- Standard SMILES
CC12CCC3c4c(O)cc(O)cc4CCC3C1CCC2=O- InChIKey
FDTPYROSMUKXFK-UHFFFAOYSA-N- Molecular formula
- C18H22O3
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.15689456
Names & identifiers
- Preferred name
- 1,3-Dihydroxyestra-1(10),2,4-trien-17-one
- IUPAC
- 1,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Names & synonyms
DTXSID609764341,3-Dihydroxyestra-1(10),2,4-trien-17-one
Database identifiers
- CAS
60966-54-3- PubChem CID
- 43508
- DTXSID
DTXSID60976434
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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