Estra-2,5(10)-dien-17-one
Basic information
- CAS
892-29-5- Standard SMILES
C[C@]12CC[C@@H]3C4=C(CC=CC4)CC[C@H]3[C@@H]1CCC2=O- InChIKey
AQEWELQRXPAPIE-CBZIJGRNSA-N- Molecular formula
- C18H24O
- Average molar mass
- 256.4 g/mol
- Monoisotopic mass
- 256.18271539
Names & identifiers
- Preferred name
- Estra-2,5(10)-dien-17-one
- IUPAC
- (8R,9S,13S,14S)-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
Names & synonyms
892-29-5estra-2,5(10)-dien-17-oneNSC92334DTXSID60293794NSC-92334
Database identifiers
- CAS
892-29-5- PubChem CID
- 260693
- DTXSID
DTXSID60293794
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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