4-Hydroxyethynylestradiol

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Catalog Number
ACM50394906
Product Name
4-Hydroxyethynylestradiol
Structure
Structure
CAS
50394-90-6
Category
Heterocyclic Organic Compound
Synonyms
(17α)-
IUPAC Name
(8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,4,17-triol
Molecular Weight
312.40
Molecular Formula
C20H24O3
Canonical SMILES
CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4O)O
InChI Key
SYFHJXSYRPNSOI-DFJNYNKPSA-N
Boiling Point
478.8ºC at 760 mmHg
Flash Point
221.4ºC
Density
1.29g/cm³
Exact Mass
312.17300
H-Bond Acceptor
3
H-Bond Donor
3
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