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(S)-O-Acetylmandelic Acid

CAT: 0572-TRC-A185960-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A185960-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7322-88-5
Synonyms
(alphaS)-alpha-(Acetyloxy)benzeneacetic Acid; L-Mandelic Acid Acetate; (2S)-2-Acetyloxy-2-phenylacetic Acid; (S)-(+)-O-Acetyl-L-mandelic Acid; (S)-2-Acetoxy-2-phenylacetic Acid; (S)-O-Acetylmandelic Acid; L-(+)-O-Acetylmandelic Acid; L-O-Acetylmandelic Acid; S-Acetylmandelic Acid
Hazard Statement
No Data Available
Smiles
CC(=O)O[C@H](C(=O)O)c1ccccc1
Molecular Formula
C10H10O4
Molecular Weight
194.18
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(+)-O-Acetyl-L-mandelic Acid
CAS Number7322-88-5
PubChem CID6923379
IUPAC Name(2S)-2-acetyloxy-2-phenylacetic acid
Molecular FormulaC10H10O4
Molecular Weight194.18
XLogP1.4
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity218
SMILES
CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)O
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
InChIKey
OBCUSTCTKLTMBX-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of (+)-O-Acetyl-L-mandelic Acid
CAS: 7322-88-5
CID: 6923379
Formula: C10H10O4
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass194.05790880
Monoisotopic Mass194.05790880
Topological Polar Surface Area63.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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