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Benzoyl Glucuronide
[CAS# 19237-53-7]

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Identification
Name Benzoyl Glucuronide
Synonyms (2S,3S,4S,5R,6S)-6-(Benzoyloxy)-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(Oxo-Phenylmethoxy)-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-Phenylcarbonyloxy-Oxane-2-Carboxylic Acid
Molecular Structure CAS#: 19237-53-7, Benzoyl Glucuronide
Molecular Formula C13H14O8
Molecular Weight 298.25
CAS Registry Number 19237-53-7
SMILES [C@@H]2(O[C@@H](OC(=O)C1=CC=CC=C1)[C@@H]([C@H]([C@@H]2O)O)O)C(=O)O
InChI 1S/C13H14O8/c14-7-8(15)10(11(17)18)20-13(9(7)16)21-12(19)6-4-2-1-3-5-6/h1-5,7-10,13-16H,(H,17,18)/t7-,8-,9+,10-,13-/m0/s1
InChIKey NLOPFVNXNMEEDI-UNLLLRGISA-N
Properties
Density 1.606g/cm3 (Cal.)
Boiling point 563.732°C at 760 mmHg (Cal.)
Flash point 216.883°C (Cal.)
Market Analysis Reports
List of Reports Available for Benzoyl Glucuronide
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