AG003R6S

21210-43-5 | Methyl (S)-(+)-mandelate

AG003R6S

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CAS Number	21210-43-5
Catalog Number	AG003R6S(AGN-PC-0QXQQL)
Chemical Name	Methyl (S)-(+)-mandelate
IUPAC Name	methyl (2S)-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-/m0/s1
InChI Key	ITATYELQCJRCCK-QMMMGPOBSA-N
MDL Number	MFCD00064246
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	O[C@@H](C1=CC=CC=C1)C(OC)=O
Synonyms	21210-43-5, (S)-(+)-Methyl mandelate, Methyl (S)-(+)-mandelate, (S)-methyl 2-hydroxy-2-phenylacetate, methyl (2S)-2-hydroxy-2-phenylacetate, (s)-methyl mandelate, ITATYELQCJRCCK-QMMMGPOBSA-N, MFCD00064246, L-(+)-Mandelic Acid Methyl Ester, (+)-Methyl L-mandelate, Methyl L-(+)-Mandelate, Methyl hydroxy(phenyl)acetate #, (+)-L-Mandelic acid methyl ester, methyl d-mandelate, methyl (s)-mandelate, L-Mandelic acid methyl, PubChem13835, AC1LD7IM, methyl(s)-(+)-mandelate, Methyl (S)-()-mandelate, methly (s)-(+)-mandelate, SCHEMBL186899, AC1Q41H0, AC1Q41H1, (S)-mandelic acid methyl ester, BDBM36088, KS-00000BDM, ZINC391162, ACT04304, Methyl (2S)-hydroxy(phenyl)acetate, CM-534, FD1304, (s)-(+)-mandelic acid methyl ester, methyl (S)-2-hydroxy-2-phenylacetate, RP22886, (+)-Methyl (S)- -hydroxyphenylacetate, Methyl (S)-(+)-mandelate, >=99%, (+)-Methyl (S)-|A-hydroxyphenylacetate, (S)-Hydroxyphenylacetic acid methyl ester, AJ-21046, AS-14344, BR-46674, K814, ZB011975, AB0014397, AB1001727, ST2413210, TR-009962, CS-0011289, FT-0083209, FT-0628349, M1350, ST50405511, M-4017, (S)-(+)-alpha-Hydroxyphenylacetic acid methyl ester, J-502323, Benzeneacetic acid, .alpha.-hydroxy-, methyl ester, (S)-, InChI=1/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/m0/s, Methyl mandelate, C9H10O3, CID643570, ACN-034313, CB11686, Methyl (S)-(+)-mandelate, 99% 1g, (S)-Methyl 2-hydroxy-2-phenylacetate, 98% - 1G 1g, 771-90-4,

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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