AG002NG4

23508-35-2 | Benzenepropanoic acid, α,4-dihydroxy-, (αS)-

AG002NG4

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CAS Number	23508-35-2
Catalog Number	AG002NG4(AGN-PC-0QZQI5)
Chemical Name	Benzenepropanoic acid, α,4-dihydroxy-, (αS)-
IUPAC Name	(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
InChI	InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m0/s1
InChI Key	JVGVDSSUAVXRDY-QMMMGPOBSA-N
MDL Number	MFCD01632461
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	O=C(O)[C@@H](O)CC1=CC=C(O)C=C1
UNII	3X3113D870
Synonyms	23508-35-2, (S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid, (S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid, (2S)-2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid, Benzenepropanoic acid, alpha,4-dihydroxy-, (alphaS)-, CHEMBL1162490, UNII-3X3113D870, (2s)-3-(4-hydroxyphenyl)-2-hydroxypropionic acid, (s)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid, (s)-3-(4-hydroxyphenyl)lactic acid, 3X3113D870, 2-Hydroxy-3-(4-hydroxy-phenyl)-propionic acid, Latifolicinin C acid, L-p-Hydroxyphenyllactic acid, SCHEMBL1067448, CTK4F1597, p-Hydroxyphenyl lactic acid, L-, DTXSID60432803, (s)-3-p-hydroxyphenyllactic acid, JVGVDSSUAVXRDY-QMMMGPOBSA-N, ZINC402937, ACT04877, 1582AB, ANW-59846, BDBM50412191, CH-158, FCH920847, MFCD01632461, (+)-3-(4-Hydroxyphenyl)lactic acid, AKOS016843267, AJ-21905, AK-34263, AS-35397, BC678252, AB0073134, AX8032779, DB-011768, TC-148591, FT-0630272, Benzenepropanoic acid, a,4-dihydroxy-, (aS)-, X-2577, (S)-3-(4-hydroxyphenyl)-2-hydroxypropanoic acid, (s)-3-(4'-hydroxyphenyl)-2-hydroxy-propanoic acid, I01-7588, (2S)-2-hydroxy-3-(4-hydroxy-phenyl)-propionic acid, UNII-EP7PS9S776 component JVGVDSSUAVXRDY-QMMMGPOBSA-N, TYF, HPLA, 4-Hydroxyphenyllactic acid, C9H10O4, CID9920545, (2S)-3-(4-Hydroxyphenyl)-2-hydroxypropionicacid, 89919-57-3,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	182.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	182.175g/mol
Monoisotopic Mass	182.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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

Lot Number