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(R)-(-)-3-Chloromandelic Acid

CAT: 0572-TRC-C427785-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C427785-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
61008-98-8
Synonyms
(R)-(3-Chlorophenyl)hydroxyacetic Acid; (R)-2-(3-Chlorophenyl)-2-hydroxyethanoic Acid; (R)-3-Chloromandelic Acid; (R)-m-Chloromandelic Acid; (R)-3-Chloro-alpha-hydroxybenzeneacetic Acid; (alphaR)-3-Chloro-alpha-hydroxybenzeneacetic Acid;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
O[C@@H](C(=O)O)c1cccc(Cl)c1
Molecular Formula
C8H7ClO3
Molecular Weight
186.59
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(R)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CAS Number61008-98-8
PubChem CID2733127
IUPAC Name(2R)-2-(3-chlorophenyl)-2-hydroxyacetic acid
Molecular FormulaC8H7ClO3
Molecular Weight186.59
XLogP1.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity172
SMILES
C1=CC(=CC(=C1)Cl)[C@H](C(=O)O)O
InChI
InChI=1S/C8H7ClO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
InChIKey
SAMVPMGKGGLIPF-SSDOTTSWSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CAS: 61008-98-8
CID: 2733127
Formula: C8H7ClO3
MW: 186.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.59
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass186.0083718
Monoisotopic Mass186.0083718
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity172
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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