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

(5aR,9aR)-5A,6,7,8,9,9A-Hexahydro-2,3-Oxanthrenediol
[CAS# 515836-47-2]

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Identification
Name (5aR,9aR)-5A,6,7,8,9,9A-Hexahydro-2,3-Oxanthrenediol
Synonyms (5aR,9aR)-5a,6,7,8,9,9a-hexahydrodibenzo[b,e][1,4]dioxine-2,3-diol
Molecular Structure CAS#: 515836-47-2, (5aR,9aR)-5A,6,7,8,9,9A-Hexahydro-2,3-Oxanthrenediol
Molecular Formula C12H14O4
Molecular Weight 222.24
CAS Registry Number 515836-47-2
SMILES C1CC[C@@H]2[C@@H](C1)OC3=C(O2)C=C(C(=C3)O)O
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-/m1/s1
InChIKey ISCFBKFVMVXAPJ-NXEZZACHSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Boiling point 414.9±45.0°C at 760 mmHg (Cal.)
Flash point 204.7±28.7°C (Cal.)
Refractive index 1.601 (Cal.)
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