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1-Pyrenyl beta-D-threo-hexopyranosiduronic acid
[CAS# 154717-05-2]

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Identification
Name 1-Pyrenyl beta-D-threo-hexopyranosiduronic acid
Synonyms 1-Hydroxypyrene ¦Â-D-Glucuronide
Molecular Structure CAS#: 154717-05-2, 1-Pyrenyl beta-D-threo-hexopyranosiduronic acid
Molecular Formula C22H18O7
Molecular Weight 394.37
CAS Registry Number 154717-05-2
SMILES c1cc2ccc3ccc(c4c3c2c(c1)cc4)O[C@H]5[C@H](C([C@@H](C(O5)C(=O)O)O)O)O
InChI 1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17?,18-,19-,20?,22+/m0/s1
InChIKey BUCREAQPYGLZLI-OCNWEEMUSA-N
Properties
Density 1.625g/cm3 (Cal.)
Boiling point 719.279°C at 760 mmHg (Cal.)
Flash point 259.573°C (Cal.)
Refractive index 1.846 (Cal.)
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