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Substance Name: 11beta-Methoxyestradiol
RN: 21507-14-2
InChIKey: OAHDOJSNKCCHJM-VIUKOLAESA-N

Molecular Weight

  • 302.4114
 
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Names and Synonyms

Synonym

  • CCRIS 7201

Systematic Name

  • 11beta-Methoxyestradiol

Registry Numbers

CAS Registry Number

  • 21507-14-2

System Generated Number

  • 0021507142

Structure Descriptors

InChI

1S/C19H26O3/c1-19-10-16(22-2)18-13-6-4-12(20)9-11(13)3-5-14(18)15(19)7-8-17(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3/t14-,15-,16-,17-,18+,19-/m0/s1

InChIKey

OAHDOJSNKCCHJM-VIUKOLAESA-N

Smiles

CO[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]13

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.72 (none)   EXP
Water Solubility 695 mg/L 25 EST
Vapor Pressure 2.14E-09 mm Hg 25 EST
Henry's Law Constant 4.26E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.40E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.