2-Acetyloxy-2-phenyl-acetic acid, 2-Acetyloxy-2-phenyl-acetic acid buy, 2-Acetyloxy-2-phenyl-acetic acid/5438-68-6 best ,2-Acetyloxy-2-phenyl-acetic acid supplier CAS NO.5438-68-6

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1. Introduction of 2-Acetyloxy-2-phenyl-acetic acid

The 2-Acetyloxy-2-phenyl-acetic acid, with its CAS NO 5438-68-6, is a kind of White to off-white crystalline powder. It has synonyms of Mandelicacid, acetate (6CI,7CI,8CI);2-Acetyloxy-2-phenyl-acetic acid;2-Acetoxy-2-phenylacetic acid;Acetoxyphenylaceticacid;DL-O-Acetylmandelic acid;NSC 14369;O-Acetylmandelic acid;Phenyl-a-acetoxyacetic acid a-(Acetyloxy)benzeneacetic acid.
 

2. Properties of 2-Acetyloxy-2-phenyl-acetic 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) Formalge 0
(10) Complexity 218  (11) Undefined Atom Stereocenter Count 1
(12) Covalently-Bonded Unit Count 1  (13) Feature 3D AcceptCount 3
(14) Feature 3D Anion Count 1  (15) Feature 3D Ring Count 1  (16) Effective RotCount 4
(17) Conformer Sampling RMSD 0.6  (18) CID Conformer Count 32
 

3. Structure descriptors of 2-Acetyloxy-2-phenyl-acetic acid

IUPAC Name: 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)

InChIKey: OBCUSTCTKLTMBX-UHFFFAOYSA-N

Canonical SMILES : CC(=O)OC(C1=CC=CC=C1)C(=O)O