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(S)-(+)-Mandelic Acid

CAT: 0572-TRC-M162535-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M162535-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17199-29-0
Synonyms
Benzeneacetic acid, α-hydroxy-, (αS)-; Benzeneacetic acid, α-hydroxy-, (S)-; Mandelic acid, L-(+)- (8CI); (αS)-α-Hydroxybenzeneacetic acid; (+)-(S)-Mandelic acid; (+)-Mandelic acid; (+)-α-Hydroxyphenylacetic acid; (2S)-2-Hydroxy-2-(phenyl)ethanoic acid; (S)-(+)-Hydroxyphenylacetic acid; (S)-(+)-Mandelic acid; (S)-2-Hydroxy-2-(phenyl)ethanoic acid; (S)-2-Hydroxy-2-phenylacetic acid; (S)-Mandelic acid; (S)-α-Hydroxybenzeneacetic acid; (S)-α-Hydroxyphenylacetic acid; L-(+)-Mandelic acid; L-Mandelic acid; Atomoxetine Hydrochloride Imp E (EP); Atomoxetine Hydrochloride Impurity E; Atomoxetine Impurity E
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
O[C@H](C(=O)O)c1ccccc1
Molecular Formula
C8 H8 O3
Molecular Weight
152.15
InChI
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
Additionnal Information
IUPAC name: (2S)-2-hydroxy-2-phenylacetic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(S)-mandelic acid

(S)-mandelic acid is a (2S)-2-hydroxy monocarboxylic acid and a mandelic acid. It is a conjugate acid of a (S)-mandelate. It is an enantiomer of a (R)-mandelic acid.

CAS Number17199-29-0
PubChem CID439616
IUPAC Name(2S)-2-hydroxy-2-phenylacetic acid
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP0.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1=CC=C(C=C1)[C@@H](C(=O)O)O
InChI
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
InChIKey
IWYDHOAUDWTVEP-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of (S)-mandelic acid
CAS: 17199-29-0
CID: 439616
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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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