AG001NES

151541-15-0 | Benzenepropanoic acid, β-hydroxy-3,5-dimethoxy-α-(2-methoxyphenoxy)-4-(phenylmethoxy)-, ethyl ester

AG001NES

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CAS Number	151541-15-0
Catalog Number	AG001NES(AGN-PC-0Q62YZ)
Chemical Name	Benzenepropanoic acid, β-hydroxy-3,5-dimethoxy-α-(2-methoxyphenoxy)-4-(phenylmethoxy)-, ethyl ester
IUPAC Name	ethyl 3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate
InChI	InChI=1S/C27H30O8/c1-5-33-27(29)26(35-21-14-10-9-13-20(21)30-2)24(28)19-15-22(31-3)25(23(16-19)32-4)34-17-18-11-7-6-8-12-18/h6-16,24,26,28H,5,17H2,1-4H3
InChI Key	HZDAVWPNTDXBJO-UHFFFAOYSA-N
MDL Number	MFCD28399423
Molecular Formula	C27H30O8
Molecular Weight	482.5223
SMILES	CCOC(=O)C(OC1=CC=CC=C1OC)C(O)C1=CC(OC)=C(OCC2=CC=CC=C2)C(OC)=C1
Synonyms	Ethyl 3-(4-(benzyloxy)-3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate, 151541-15-0, AK167289, KS-00000SVW, MFCD28399423, AKOS025287180, CS-W001018, DS-9475, ethyl3-(4-(benzyloxy)-3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate, Benzenepropanoic acid, beta-hydroxy-3,5-dimethoxy-alpha-(2-methoxyphenoxy)-4-(phenylmethoxy)-, ethyl ester,

Complexity	596
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	482.194g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	482.529g/mol
Monoisotopic Mass	482.194g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	92.7A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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