AG00BDET

222555-06-8 | (S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester

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CAS Number	222555-06-8
Catalog Number	AG00BDET(AGN-PC-0QYVKB)
Chemical Name	(S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester
IUPAC Name	ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate
InChI	InChI=1S/C13H18O4/c1-3-16-12(13(15)17-4-2)9-10-5-7-11(14)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3/t12-/m0/s1
InChI Key	NEJJCKFYYBEQRQ-LBPRGKRZSA-N
MDL Number	MFCD06796580
Molecular Formula	C13H18O4
Molecular Weight	238.2796
SMILES	O=C(OCC)[C@@H](OCC)CC1=CC=C(O)C=C1
Synonyms	222555-06-8, (S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester, (S)-ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate, ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate, (s)-2-ethoxy-3-(4-hydroxyphenyl)propionic acid ethyl ester, (S)-2-ethoxy-3-(4-hydroxyphenyl)propanoic acid ethyl ester, (2S)-2-ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester, SCHEMBL977513, CTK4E9019, (S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionicacidethylester, DTXSID50431204, NEJJCKFYYBEQRQ-LBPRGKRZSA-N, MFCD06796580, ZINC12649445, AN-5906, RTX-011170, SB17985, AJ-62858, AS-37399, AB0075803, AX8036096, DB-016803, FT-0771491, A13355, X-2596, ethyl (s)-2-ethoxyl-3-p-hydroxyphenylpropionate, (S)-ethyl-2-ethoxy-3-(4-hydroxyphenyl)propanoate, 555E068, Ethyl (2S)-ethoxy-3-(4-hydroxyphenyl)-propanoate, ethyl (S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate, ethyl 2(S)-ethoxy-3-(4-hydroxyphenyl)propanoate, ethyl(2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate, Ethyl(2S)-3-(4-hydroxyphenyl)-2-ethoxypropanoate, (S)-ethyl 2-ethoxy-3-(4-hydroxyphenyl)-propionate, ethyl-(2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate, (S)-ethyl 2-ethoxy-3-(4-hydroxy-phenyl)-propionate, (2S)-2-ethoxy-3-(4-hydroxyphenyl)-propionic acid ethyl ester, (s)-2-ethoxy-3-(4-hydroxy-phenyl)-propionic acidethyl ester, (S)-2-ethoxy-3-(4-hydroxyphenyl) propanoic acid ethyl ester, (S)-2-ethoxy-3-(4-hydroxyphenyl)-propionic acid ethyl ester, Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester,(aS)-, benzenepropanoic acid, ?-ethoxy-4-hydroxy-, ethyl ester, (?s)-, CID9816147, Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate, (S)-Ethyl2-ethoxy-3-(4-hydroxyphenyl)propanoate,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	238.121g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	238.283g/mol
Monoisotopic Mass	238.121g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	warning
UN Code	UN 2811

Certificate of Analysis

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