AG003P7K

20698-91-3 | Methyl (R)-(-)-mandelate

AG003P7K

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CAS Number	20698-91-3
Catalog Number	AG003P7K(AGN-PC-0QWBEG)
Chemical Name	Methyl (R)-(-)-mandelate
IUPAC Name	methyl (2R)-2-hydroxy-2-phenylacetate
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
InChI Key	ITATYELQCJRCCK-MRVPVSSYSA-N
MDL Number	MFCD00064247
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	O[C@H](C1=CC=CC=C1)C(OC)=O
Synonyms	20698-91-3, (R)-(-)-Methyl mandelate, Methyl (R)-(-)-mandelate, (R)-Methyl 2-hydroxy-2-phenylacetate, D-(-)-Mandelic Acid Methyl Ester, (r)-methyl mandelate, Methyl D-(-)-Mandelate, methyl (2R)-2-hydroxy-2-phenylacetate, (R)-mandelic acid methyl ester, ITATYELQCJRCCK-MRVPVSSYSA-N, MFCD00064247, (R)-(-)-Mandelic acid methyl ester, (R)-(-)-alpha-Hydroxyphenylacetic acid methyl ester, Methyl hydroxy(phenyl)acetate #, (-)-D-Mandelic acid methyl ester, methyl (r)-mandelate, D-Mandelic acid methyl, PubChem10418, AC1MC5BK, (R)-O-methylmandelic acid, AC1Q41IX, Methyl(R)-(-)-Mandelate, Methyl (R)-(?)-mandelate, SCHEMBL186900, BDBM36087, KS-00000BDP, DTXSID10369195, R(-)-Mandelic acid methyl ester, ZINC391161, ACT04305, CM-533, FD1307, Methyl (R)-alpha-hydroxyphenylacetate, AKOS005146057, AKOS015855478, methyl (R)-2-hydroxy-2-phenylacetate, CS-W017868, Methyl (R)-(-)-mandelate, >=99%, (-)-Methyl (R)-|A-hydroxyphenylacetate, AJ-21045, AS-14338, BR-46628, K805, SC-02347, ZB011974, AB0014391, AB1001731, methyl (2R)-2-oxidanyl-2-phenyl-ethanoate, methyl (R)-(-)-2-hydroxy-2-phenylacetate, ST2413207, TR-009711, FT-0605070, M1349, B-7787, (2R)-2-hydroxy-2-phenylacetic acid methyl ester, A826336, J-013532, Benzeneacetic acid, .alpha.-hydroxy-, methyl ester, (R)-, Methyl mandelate, C9H10O3, ACN-034312, CB11219, CID2724623, methyl (2S)-2-hydroxy-2-phenylacetate, Methyl (R)-(-)-mandelate, 99% 1g, (-)-Methyl (R)-alpha-hydroxyphenylacetate, Methyl (R)-(-)-mandelate, 98% - 1G 1g, Benzeneacetic acid, .alpha.-hydroxy-, methyl ester, (.alpha.R)-, 4358-87-6,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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