4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Pyrrolidinyl]Benzoic Acid
[CAS# 188745-02-0]

Identification

• Name: 4-[(2S,3S,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Pyrrolidinyl]Benzoic Acid
• Molecular Formula: C₁₂H₁₅NO₅
• Molecular Weight: 253.25
• CAS Registry Number: 188745-02-0
• SMILES: O=C(O)c1ccc(cc1)[C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O
• InChI: 1S/C12H15NO5/c14-5-8-10(15)11(16)9(13-8)6-1-3-7(4-2-6)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)/t8-,9+,10-,11+/m1/s1
• InChIKey: VVHVIKYNRGURSR-YTWAJWBKSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 529.857°C at 760 mmHg (Cal.)
• Flash point: 274.248°C (Cal.)
• Refractive index: 1.639 (Cal.)