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3-Hydroxyestra-1,3,5(10)-Triene-6,17-Dione
[CAS# 1476-34-2]

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Identification
Name 3-Hydroxyestra-1,3,5(10)-Triene-6,17-Dione
Synonyms 1,3,5(10)-Estratrien-3-ol-6,17-dione; 6-KETOESTRONE; K8750_SIGMA
Molecular Structure CAS#: 1476-34-2, 3-Hydroxyestra-1,3,5(10)-Triene-6,17-Dione
Molecular Formula C18H20O3
Molecular Weight 284.35
CAS Registry Number 1476-34-2
SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=O)C4=C3C=CC(=C4)O
InChI 1S/C18H20O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15,19H,4-7,9H2,1H3/t12-,13-,15+,18+/m1/s1
InChIKey JOVYPIGRPWIXHQ-ONUSSAAZSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Boiling point 478.8±45.0°C at 760 mmHg (Cal.)
Flash point 257.5±25.2°C (Cal.)
Refractive index 1.6 (Cal.)
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