(-)-O-Acetyl-D-mandelic Acid, (-)-O-Acetyl-D-mandelic Acid 98%,(-)-O-Acetyl-D-mandelic Acid suppliers, (-)-O-Acetyl-D-mandelic Acid buy CAS NO.51019-43-3

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1. Introduction of (-)-O-Acetyl-D-mandelic acid

The (-)-O-Acetyl-D-mandelic acid, with its CAS NO 51019-43-3, is a kind of white to light yellow crystal powder. It has synonyms of O-Acetyl-D-mandelic acid;O-Acetyl-(R)-mandelicacid;D-O-Acetyl-mandelic acid;D-(-)-Acetylmandelic Acid;Benzeneaceticacid, a-(acetyloxy)-, (R)-;(R)-(-)-O-Acetylmandelic acid;(R)-2-Acetoxy-2-phenylaceticacid;(R)-Mandelic acid O-acetate;(R)-O-Acetylmandelic acid (aR)-a-(Acetyloxy)benzeneacetic acid.

2. Properties of (-)-O-Acetyl-D-mandelic acid

(1) XLogP3-AA 1.4  (2) H-Bond Don1  (3) H-Bond Accept4
(4) Rotatable Bond Count 4  (5) Exact Mass 194.057909  (6) MonoIsotopic Mass 194.057909
(7) Topological Polar Surface Area 63.6  (8) Heavy Atom Count 14  (9) Complexity 218 
(10) Covalently-Bonded Unit Count 1  (11) Feature 3D AcceptCount 3
(12) Feature 3D Anion Count 1  (13) Feature 3D Ring Count 1  (14) Effective RotCount 4
(15) Conformer Sampling RMSD 0.6  (16) CID Conformer Count 20
 

3. Strucuture descriptors of (-)-O-Acetyl-D-mandelic acid

IUPAC Name: (2R)-2-acetyloxy-2-phenylacetic acid

InChI: InChI=1S/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,
13)/t9-/m1/s1

InChIKey: OBCUSTCTKLTMBX-SECBINFHSA-N

Canonical SMILES : CC(=O)OC(C1=CC=CC=C1)C(=O)OIsomeric SMILES: CC(=O)O[C@H](C1=CC=CC=C1)C(=O)O