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(5xi)-1-O-(2-Acetoxybenzoyl)-beta-D-lyxo-hexopyranuronic acid
[CAS# 24719-72-0]

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Identification
Name (5xi)-1-O-(2-Acetoxybenzoyl)-beta-D-lyxo-hexopyranuronic acid
Synonyms Acetylsalicylic Acid Acyl-β-D-glucuronide
Molecular Structure CAS#: 24719-72-0, (5xi)-1-O-(2-Acetoxybenzoyl)-beta-D-lyxo-hexopyranuronic acid
Molecular Formula C15H16O10
Molecular Weight 356.28
CAS Registry Number 24719-72-0
SMILES CC(=O)Oc1ccccc1C(=O)O[C@H]2[C@H]([C@H]([C@@H](C(O2)C(=O)O)O)O)O
InChI 1S/C15H16O10/c1-6(16)23-8-5-3-2-4-7(8)14(22)25-15-11(19)9(17)10(18)12(24-15)13(20)21/h2-5,9-12,15,17-19H,1H3,(H,20,21)/t9-,10-,11-,12?,15-/m0/s1
InChIKey VHJPVKQXMOFZPM-FQUNMTOKSA-N
Properties
Density 1.615g/cm3 (Cal.)
Boiling point 592.532°C at 760 mmHg (Cal.)
Flash point 219.46°C (Cal.)
Refractive index 1.625 (Cal.)
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