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1-Hydroxyestradiol (4147-05-1)

Identification
Name:1-Hydroxyestradiol
Synonyms:1-Hydroxyestradiol;ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL;AC1L2FJK;LS-64788;(17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,3,17-triol;4147-05-1
CAS:4147-05-1
Molecular Formula: C18H24O3
Molecular Weight: 288.3814
InChI: InChI=1/C18H24O3/c1-18-7-6-13-12(14(18)4-5-16(18)21)3-2-10-8-11(19)9-15(20)17(10)13/h8-9,12-14,16,19-21H,2-7H2,1H3/t12?,13?,14?,16-,18?/m0/s1
Molecular Structure: (C18H24O3) 1-Hydroxyestradiol;ESTRA-1,3,5(10)-TRIENE-1,3,17-beta-TRIOL;AC1L2FJK;LS-64788;(17S)-13-methyl-6,7,8,...
Properties
Flash Point: 232.2°C
Boiling Point: 490.1°C at 760 mmHg
Density:1.248g/cm3
Refractive index:1.622
Specification:

Descriptors computed from structure, you can know some information about 1-Hydroxyestradiol (CAS NO.4147-05-1) :
Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=CC(=C34)O)O
Isomeric SMILES: CC12CCC3C(C1CC[C@@H]2O)CCC4=CC(=CC(=C34)O)O
InChI: InChI=1S/C18H24O3/c1-18-7-6-13-12(14(18)4-5-16(18)21)3-2-10-8-11(19)9-15(20)17(10)13/h8-9,12-14,16,19-21H,2-7H2,1H3/t12?,13?,14?,16-,18?/m0/s1
InChIKey: BSBWEXLXIOSMDG-IEKYFPHUSA-N

Flash Point: 232.2°C
Safety Data
Hazard Symbols
 

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