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Home >> Chemical Listing >> Page 869 >> 4-Isothiocyanatophenyl Hexopyranoside

4-Isothiocyanatophenyl Hexopyranoside
[CAS# 20581-45-7]

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Identification
Name 4-Isothiocyanatophenyl Hexopyranoside
Molecular Structure CAS#: 20581-45-7, 4-Isothiocyanatophenyl Hexopyranoside
Molecular Formula C13H15NO6S
Molecular Weight 313.33
CAS Registry Number 20581-45-7
SMILES S=C=N\c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2
InChI 1S/C13H15NO6S/c15-5-9-10(16)11(17)12(18)13(20-9)19-8-3-1-7(2-4-8)14-6-21/h1-4,9-13,15-18H,5H2
InChIKey RWANFUZQWINQBY-UHFFFAOYSA-N
Properties
Density 1.563g/cm3 (Cal.)
Boiling point 577.53°C at 760 mmHg (Cal.)
Flash point 303.079°C (Cal.)
Refractive index 1.659 (Cal.)
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