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Doisynolic Acid
[CAS# 482-49-5]

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CAS#: 482-49-5
Product: Doisynolic Acid
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Identification
Name Doisynolic Acid
Synonyms 1-Ethyl-1,2,3,4,4A,9,10,10A-Octahydro-7-Hydroxy-2-Methyl-2-Phenanthrenecarboxylic Acid; 1-Ethyl-7-Hydroxy-2-Methyl-1,2,3,4,4A,9,10,10A-Octahydrophenanthrene-2-Carboxylic Acid; 16,17-Secoestra-1,3,5(10)-Trien-17-Oic Acid, 3-Hydroxy-
Molecular Structure CAS#: 482-49-5, Doisynolic Acid
Molecular Formula C18H24O3
Molecular Weight 288.39
CAS Registry Number 482-49-5
SMILES C1=CC(=CC3=C1C2C(C(C(CC2)(C(=O)O)C)CC)CC3)O
InChI 1S/C18H24O3/c1-3-16-15-6-4-11-10-12(19)5-7-13(11)14(15)8-9-18(16,2)17(20)21/h5,7,10,14-16,19H,3-4,6,8-9H2,1-2H3,(H,20,21)
InChIKey GEGYYIFBFKSCPK-UHFFFAOYSA-N
Properties
Density 1.131g/cm3 (Cal.)
Boiling point 474.094°C at 760 mmHg (Cal.)
Flash point 254.635°C (Cal.)
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