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Methyl (R)-(-)-Mandelate

CAT: 0572-TRC-M317455-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M317455-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20698-91-3
Synonyms
(alphaR)-alpha-Hydroxybenzeneacetic Acid Methyl Ester; (R)-(-)-Mandelic Acid Methyl Ester; (-)-Mandelic Acid Methyl Ester; (-)-Methyl Mandelate; (R)-(-)-Mandelic Acid Methyl Ester; (R)-(-)-Methyl 2-Hydroxy-2-phenylacetate; (R)-Mandelic Acid Methyl Ester; (R)-Methyl (Hydroxy)(phenyl)acetate; (R)-Methyl Mandelate; (R)-alpha-Hydroxybenzeneacetic Acid Methyl Ester; (alphaR)-alpha-Hydroxybenzeneacetic Acid Methyl Ester; D-(-)-Mandelic Acid Methyl Ester; D-(-)-Methyl Mandelate; Methyl (R)-2-Hydroxy-2-phenylacetate; Methyl (R)-Mandelate; Methyl (R)-alpha-Hydroxybenzeneacetate; Methyl (R)-alpha-Phenylglycolate; Methyl D-Mandelate; Methyl l-Mandelate
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
COC(=O)[C@H](O)c1ccccc1
Molecular Formula
C9H10O3
Molecular Weight
166.17
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Methyl (R)-(-)-mandelate

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CAS Number20698-91-3
PubChem CID2724623
IUPAC Namemethyl (2R)-2-hydroxy-2-phenylacetate
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP1.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity150
SMILES
COC(=O)[C@@H](C1=CC=CC=C1)O
InChI
InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/m1/s1
InChIKey
ITATYELQCJRCCK-MRVPVSSYSA-N
Chemical Structure
2D Structure
2D structure of Methyl (R)-(-)-mandelate
CAS: 20698-91-3
CID: 2724623
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity150
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

CatalogName
283915-01Methyl- (R) - (-) -mandelate
GTR19250865-01(R) - (-) -methyl mandelate
454596-01Methyl (R) - (-) -Mandelate
239793-01Methyl- (R) - (-) -mandelate 98+% (HPLC)
sc-357388A(±) -Methyl mandelate
M21650Methyl Mandelate
239794-01Methyl- (S) - (+) -mandelate
sc-250330Methyl (S) - (+) -mandelate
455896-01Methyl DL-Mandelate
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