AG003KMA

13475-17-7 | 4-Acetamidophenylacetic Acid Ethyl Ester

AG003KMA

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CAS Number	13475-17-7
Catalog Number	AG003KMA(AGN-PC-0N31WO)
Chemical Name	4-Acetamidophenylacetic Acid Ethyl Ester
IUPAC Name	ethyl 2-(4-acetamidophenyl)acetate
InChI	InChI=1S/C12H15NO3/c1-3-16-12(15)8-10-4-6-11(7-5-10)13-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,14)
InChI Key	OOLUNZSKHFNSCD-UHFFFAOYSA-N
MDL Number	MFCD06797104
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
SMILES	CCOC(=O)CC1=CC=C(NC(C)=O)C=C1
Synonyms	13475-17-7, Ethyl 2-(4-acetamidophenyl)acetate, Ethyl 4-Acetamidophenylacetate, 4-Acetamidophenylacetic Acid Ethyl Ester, Ethyl (4-acetamidophenyl)acetate, ACMC-209bwx, (4-acetylamino-phenyl)-acetic acid ethyl ester, Ethyl4-Acetamidophenylacetate, Ethyl 4-acetamidophenyl acetate, SCHEMBL10685516, CTK4B9391, DTXSID50438576, KS-000015NR, 6240AA, ANW-19711, MFCD06797104, ZINC22010139, AKOS016005646, AJ-80424, p-Acetylaminophenylacetic acid ethyl ester, DB-063040, TC-108456, 4-(Acetylamino)-Benzeneaceticacid ethylester, E0585, FT-0767823, A18165, 4-(Acetylamino)-benzeneacetic acid ethyl ester, Benzeneacetic acid,4-(acetylamino)-, ethyl ester, I14-91614, C12H15NO3, CID10353455,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.256g/mol
Monoisotopic Mass	221.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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