AG0062R0

7322-88-5 | (S)-2-Acetoxy-2-phenylacetic acid

AG0062R0

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CAS Number	7322-88-5
Catalog Number	AG0062R0(AGN-PC-0U2MSS)
Chemical Name	(S)-2-Acetoxy-2-phenylacetic acid
IUPAC Name	(2S)-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-/m0/s1
InChI Key	OBCUSTCTKLTMBX-VIFPVBQESA-N
MDL Number	MFCD00064215
Molecular Formula	C10H10O4
Molecular Weight	194.1840
SMILES	O=C(O)[C@@H](OC(C)=O)C1=CC=CC=C1
UNII	0N6KT18K98
Synonyms	(S)-2-Acetoxy-2-phenylacetic Acid, 7322-88-5, (+)-O-Acetyl-L-mandelic Acid, (S)-(+)-O-Acetylmandelic acid, (S)-(+)-alpha-Acetoxyphenylacetic acid, S-Acetylmandelic Acid, (2S)-2-acetyloxy-2-phenylacetic acid, (S)-(+)-O-Acetyl-L-mandelic acid, (S)-alpha-Acetoxyphenylacetic acid, (S)-O-Acetylmandelic Acid, UNII-0N6KT18K98, L-(+)-O-Acetylmandelic Acid, MFCD00064215, 0N6KT18K98, Benzeneacetic acid, alpha-(acetyloxy)-, (alphaS)-, (+)-o-acetylmandelic acid, Acetylmandelic acid, (+)-, Mandelic acid, acetate, L-, Acetyl mandelic acid [INCI], AK-49109, PubChem8060, L-Mandelic Acid Acetate, L-O-Acetylmandelic Acid, AC1OCM8H, Benzeneacetic acid, alpha-(acetyloxy)-, (S)-, AC1Q1L8I, AC1Q1L8J, (S)-Acetoxyphenylacetic acid, ()-O-Acetyl-L-Mandelic Acid, SCHEMBL1286155, (+)?-?O-?Acetylmandelic acid, CTK8E1538, OBCUSTCTKLTMBX-VIFPVBQESA-, ZINC81252, BIA7001, OBCUSTCTKLTMBX-VIFPVBQESA-N, CS-D1447, (S)-2-acetyloxy-2-phenylacetic acid, AKOS017342896, (2S)-2-Acetoxy-2-phenyl-acetic acid, (S)-(+)-|A-Acetoxyphenylacetic acid, EBD2202400, GS-3391, ( S)- -(Acetyloxy)-benzeneacetic acid, KS-000000K7, (|AS)-|A-(Acetyloxy)benzeneacetic Acid, (S)-(+)-O-Acetylmandelic acid, 99%, (2S)-2-(acetyloxy)-2-phenylacetic acid, O024, AB0016204, TC-306449, AM20060715, ST24032096, (2S)?-?2-?Acetyloxy-?2-?phenylacetic acid, InChI=1/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1, acetyl mandelic acid, o-acetyl-l-mandelic acid, C10H10O4, NSC14369, ACN-034308, CB10510, CID6923379, A1454, (S)-( )-2-Acetyl mandelic acid, 98% - 25G 25g, 1305320-63-1,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

Lot Number