AG003QHV

5764-85-2 | Ethyl 3-hydroxy-3-phenylpropanoate

AG003QHV

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CAS Number	5764-85-2
Catalog Number	AG003QHV(AGN-PC-0SO525)
Chemical Name	Ethyl 3-hydroxy-3-phenylpropanoate
EC Number	227-288-2
IUPAC Name	ethyl 3-hydroxy-3-phenylpropanoate
InChI	InChI=1S/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChI Key	DVIBDQWVFHDBOP-UHFFFAOYSA-N
MDL Number	MFCD00086891
Molecular Formula	C11H14O3
Molecular Weight	194.2271
NSC Number	226071
SMILES	O=C(OCC)CC(O)C1=CC=CC=C1
Synonyms	Ethyl 3-hydroxy-3-phenylpropanoate, 5764-85-2, 3-Hydroxy-3-phenylpropionic acid ethyl ester, Ethyl 3-hydroxy-3-phenylpropionate, Hydracrylic acid, 3-phenyl-, ethyl ester, ETHYL-3-HYDROXY-3-PHENYL PROPIONATE, 3-hydroxy-3-phenyl-propionic acid ethyl ester, DVIBDQWVFHDBOP-UHFFFAOYSA-N, Benzenepropanoic acid, .beta.-hydroxy-, ethyl ester, MFCD00086891, (R)-Ethyl 3-hydroxy-3-phenylpropanoate, 3-Hydroxy-3-phenyl-propionicacidethylester, ethyl 3-hydroxy-3-phenyl-propanoate, (S)-Ethyl3-Hydroxy-3-phenylpropanoate, EINECS 227-288-2, Ethyl 3-phenylhydracrylate, (+/-)-, ACMC-20apru, NSC 226071, AI3-06216, Benzenepropanoic acid, beta-hydroxy-, ethyl ester, Hydracrylic acid, ethyl ester, KSC607E2D, SCHEMBL295741, (?)-Ethyl 3-phenylhydracrylate, CHEMBL2252097, DTXSID2052239, CTK5A7221, Ethyl beta-hydroxybenzenepropanoate, Ethyl3-Hydroxy-3-phenylpropanoate, ethyl 3-phenyl-3-hydroxypropionate, AC1L4160, AC1Q6515, C6H5CH(OH)CH2C(O)OC2H5, KS-000008ZB, 8511AB, ANW-60695, KM0131, NSC226071, SBB068851, AKOS009157232, ETHYL BETA-HYDROXYHYDROCINNAMATE, MCULE-3063431119, NSC-226071, TRA0082402, (-)-ethyl 3-phenyl-3-hydroxypropionate, AK-82824, AN-17296, AN-19151, DS-16935, SC-85533, SY015621, racemic ethyl 3-phenyl-3-hydroxypropionate, DB-000192, RT-001661, A5954, FT-0658890, EN300-79362, MFCD00086891 (95%), Benzenepropanoic acid, b-hydroxy-, ethyl ester, Propanoic acid, 3-hydroxy-3-phenyl-, ethyl ester, S01-0410, Z1258948149, UNII-3LXM18J49C, 3LXM18J49C, Benzenepropanoic acid, ethyl ester, C11H14O3, CID99818, (S)-Ethyl 3-Hydroxy-3-phenylpropanoate, AR-1I8855, ETHYL-3-HYDROXY-3-PHENYLPROPIONATE, C11-H14-O3, ethyl 3 - hydroxy - 3 - phenylpropionate, (+)-Ethyl (R)-3-hydroxy-3-phenylpropionate, Benzenepropanoic acid, ss-hydroxy-, ethyl ester, 33401-74-0, 72656-47-4, 92-55-7,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.094g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number