AG00282B

2021-28-5 | Benzenepropanoic acid, ethyl ester

AG00282B

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CAS Number	2021-28-5
Catalog Number	AG00282B(AGN-PC-0JKCRF)
Chemical Name	Benzenepropanoic acid, ethyl ester
EC Number	217-966-6
FEMA Number	2455
IUPAC Name	ethyl 3-phenylpropanoate
InChI	InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key	JAGZUIGGHGTFHO-UHFFFAOYSA-N
MDL Number	MFCD00009206
Molecular Formula	C11H14O2
Molecular Weight	178.2277
NSC Number	126040
SMILES	CCOC(=O)CCC1=CC=CC=C1
UNII	58E9Z9V64D
Synonyms	Ethyl 3-phenylpropionate, Ethyl 3-phenylpropanoate, 2021-28-5, Ethyl hydrocinnamate, 3-Phenylpropionic Acid Ethyl Ester, Benzenepropanoic acid, ethyl ester, Ethyl dihydrocinnamate, Hydrocinnamic acid, ethyl ester, Ethylhydrocinnamoate, ETHYL BENZENEPROPANOATE, UNII-58E9Z9V64D, Ethylphenyl propanoate, JAGZUIGGHGTFHO-UHFFFAOYSA-N, 58E9Z9V64D, MFCD00009206, Hydrocinnamic acid, ethyl ester (8CI), FEMA No. 2455, ethylhydrocinnamate, ethyl benzylacetate, EINECS 217-966-6, NSC 126040, ethyl 3phenylpropionate, ethyl B-phenylpropionate, ACMC-1CNGR, AI3-11591, Ethyl 3-phenylproprionate, ethyl beta-phenylpropionate, AC1L27JH, AC1Q34RE, Ethyl hydrocinnamate, 99%, DSSTox_CID_27095, DSSTox_RID_82107, DSSTox_GSID_47095, KSC490A0H, SCHEMBL304816, Jsp004131, CHEMBL2252095, DTXSID9047095, CTK3J0003, FEMA 2455, ZINC58257, 3-phenyl-propionic acid ethyl ester, Tox21_302337, ANW-23955, BBL035649, NSC126040, STL442490, AKOS005256946, CS-W002049, MCULE-3812518027, NSC-126040, RP23970, RTR-009412, TRA0001801, Ethyl 3-phenylpropionate, >=98%, FG, NCGC00256223-01, AC-23568, AJ-09851, AN-19797, CJ-00499, CS-11279, SC-25957, SY013603, ZB002372, CAS-2021-28-5, DB-014798, TR-009412, FT-0616347, P1304, ST24030577, ST50331803, MFCD00009206 (98+%), I01-2040, W-107636, InChI=1/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H, Vanilglycolic acid, Ethyl3-phenylpropionate, C11H14O2, CID16237, Ethyl 3-phenylpropionate, 98% 50g, C11-H14-O2, Ethyl 3-phenylpropionate, 98% - 100G 100g, 4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophene-3-carboxylic acid,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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