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Home >> Chemical Listing >> Page 1704 >> (5aR,9aS)-5A,6,7,8,9,9A-Hexahydro-2,3-Oxanthrenediol

(5aR,9aS)-5A,6,7,8,9,9A-Hexahydro-2,3-Oxanthrenediol
[CAS# 515836-49-4]

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Identification
Name (5aR,9aS)-5A,6,7,8,9,9A-Hexahydro-2,3-Oxanthrenediol
Synonyms (5aR,9aS)-5a,6,7,8,9,9a-hexahydrodibenzo[b,e][1,4]dioxine-2,3-diol
Molecular Structure CAS#: 515836-49-4, (5aR,9aS)-5A,6,7,8,9,9A-Hexahydro-2,3-Oxanthrenediol
Molecular Formula C12H14O4
Molecular Weight 222.24
CAS Registry Number 515836-49-4
SMILES Oc1cc2O[C@@H]3CCCC[C@@H]3Oc2cc1O
InChI 1S/C12H14O4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h5-6,9-10,13-14H,1-4H2/t9-,10+
InChIKey ISCFBKFVMVXAPJ-AOOOYVTPSA-N
Properties
Density 1.329g/cm3 (Cal.)
Boiling point 414.853°C at 760 mmHg (Cal.)
Flash point 204.696°C (Cal.)
Refractive index 1.601 (Cal.)
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