AG0025XD

178306-52-0 | Benzenepropanoic acid, α-hydroxy-β-methoxy-β-phenyl-, (αS)-

AG0025XD

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CAS Number	178306-52-0
Catalog Number	AG0025XD(AGN-PC-0QBBHI)
Chemical Name	Benzenepropanoic acid, α-hydroxy-β-methoxy-β-phenyl-, (αS)-
IUPAC Name	(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
InChI	InChI=1S/C16H16O4/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)/t14-/m1/s1
InChI Key	RQJWOLFMWKZKCJ-CQSZACIVSA-N
MDL Number	MFCD11113284
Molecular Formula	C16H16O4
Molecular Weight	272.2958
SMILES	O=C(O)[C@@H](O)C(C1=CC=CC=C1)(OC)C2=CC=CC=C2
Synonyms	178306-52-0, (S)-2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid, (S)-2-Hydroxy-3-methoxy-3,3-diphenylpropionic acid, (2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid, SCHEMBL570658, ambrisentan hydroxy acid impurity, CTK8B6543, DTXSID20572219, RQJWOLFMWKZKCJ-CQSZACIVSA-N, BCP04673, KS-00000PZ3, ANW-53621, FD7216, MFCD11113284, SBB067305, ZINC40443136, AKOS015907675, AN-30675, AS-19559, AB0087914, AJ-102450, AX8229371, TX-018068, FT-0658385, ST24020822, Y0379, 306H520, I14-2791, (S)-2-Hydroxy-3,3-diphenyl-3-methoxypropanoic acid, (s)-2-hydroxy-3-methoxy-3,3-diphenyl propionic acid, (s)-2-hydroxyl -3-methoxy-3,3-diphenylpropanoic acid, (2S)-2-hydroxy-3-methoxy-3,3-diphenyl-propanoic acid, BENZENEPROPANOIC ACID,A-HYDROXY-B-METHOXY-B-PHENYL-,(AS)-, Benzenepropanoic acid, alpha-hydroxy-beta-methoxy-beta-phenyl-, (alphaS)-, C16H16O4, C16 H16 O4, CB11504, CS-O-32000, H1568, (S)-2-Hydroxy-3-methoxy-3,3-diphenylpropanoicacid, (S)-2-Hydroxy-3-methoxy-3,3-diphenylpropionic ac ..., (S)-2-Hydroxy-3-methoxy-3,3-diphenylpropionic acid, 99% - 1G 1g,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	272.105g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	272.3g/mol
Monoisotopic Mass	272.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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