AG002UW1

27834-99-7 | Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate

AG002UW1

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CAS Number	27834-99-7
Catalog Number	AG002UW1(AGN-PC-0R3HMS)
Chemical Name	Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate
IUPAC Name	ethyl 3-(3-methoxyphenyl)-3-oxopropanoate
InChI	InChI=1S/C12H14O4/c1-3-16-12(14)8-11(13)9-5-4-6-10(7-9)15-2/h4-7H,3,8H2,1-2H3
InChI Key	FDPPVAYPZOORBP-UHFFFAOYSA-N
MDL Number	MFCD00086704
Molecular Formula	C12H14O4
Molecular Weight	222.2372
SMILES	O=C(OCC)CC(C1=CC=CC(OC)=C1)=O
Synonyms	27834-99-7, ethyl 3-(3-methoxyphenyl)-3-oxopropanoate, Ethyl (3-methoxybenzoyl)acetate, 3-(3-Methoxy-phenyl)-3-oxo-propionic acid ethyl ester, 3-(3-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester, benzenepropanoic acid, 3-methoxy-beta-oxo-, ethyl ester, Ethyl m-anisoylacetate, ACMC-20al2b, AC1MC0ZW, SCHEMBL382162, CTK4G0320, KS-00001KJQ, DTXSID90374883, FDPPVAYPZOORBP-UHFFFAOYSA-N, m-Anisoyl-acetic acid ethyl ester, ALBB-020939, ZINC2575227, AB2846, BBL004590, MFCD00086704, STL131874, AKOS000265666, 3-Methoxybenzoylacetic acid ethyl ester, MCULE-1656834446, NE25598, AC-20668, AJ-42357, AS-44664, SY052528, (3-Methoxybenzoyl)acetic Acid Ethyl Ester, AB0085784, DB-010077, Ethyl 3-(3-Methoxyphenyl)-3-oxopropionate, ethyl 3-oxo-3-(3-methoxyphenyl)propanoate, TC-166970, E1121, FT-0703484, MFCD00086704 (97%), A819209, Benzenepropanoic acid,3-methoxy-b-oxo-, ethyl ester, I04-9169, J-016891, 3-(3-methoxyphenyl)-3-oxopropanoic acid ethyl ester, ethyl 3-(3-methoxyphenyl)-3-oxidanylidene-propanoate, Z1507563284, ZINC02575227, CID2759696, Ethyl3-(3-methoxyphenyl)-3-oxopropanoate,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.089g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.24g/mol
Monoisotopic Mass	222.089g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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