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Estrenone
[CAS# 3646-28-4]

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Identification
Name Estrenone
Synonyms Oestr-4-En-17-One
Molecular Structure CAS#: 3646-28-4, Estrenone
Molecular Formula C18H26O
Molecular Weight 258.40
CAS Registry Number 3646-28-4
EINECS 222-878-6
SMILES [C@H]13[C@H]4[C@](CC[C@@H]1[C@@H]2C(=CCCC2)CC3)(C(=O)CC4)C
InChI 1S/C18H26O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h4,13-16H,2-3,5-11H2,1H3/t13-,14+,15+,16-,18-/m0/s1
InChIKey OLYAEHZZXXLNQQ-QXUSFIETSA-N
Properties
Density 1.064g/cm3 (Cal.)
Boiling point 381.887°C at 760 mmHg (Cal.)
Flash point 164.333°C (Cal.)
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