AG003PZ4

41607-95-8 | Ethyl 3-(2-methoxyphenyl)-3-oxopropanoate

AG003PZ4

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CAS Number	41607-95-8
Catalog Number	AG003PZ4(AGN-PC-0RQR68)
Chemical Name	Ethyl 3-(2-methoxyphenyl)-3-oxopropanoate
IUPAC Name	ethyl 3-(2-methoxyphenyl)-3-oxopropanoate
InChI	InChI=1S/C12H14O4/c1-3-16-12(14)8-10(13)9-6-4-5-7-11(9)15-2/h4-7H,3,8H2,1-2H3
InChI Key	KROPYAVVJDXRPH-UHFFFAOYSA-N
MDL Number	MFCD01311633
Molecular Formula	C12H14O4
Molecular Weight	222.2372
SMILES	O=C(OCC)CC(C1=CC=CC=C1OC)=O
Synonyms	41607-95-8, ethyl 3-(2-methoxyphenyl)-3-oxopropanoate, Ethyl (2-methoxybenzoyl)acetate, Ethyl (2-methyoxybenzoyl)acetate, 3-(2-Methoxy-Phenyl)-3-Oxo-Propionic Acid Ethyl Ester, Ethyl 3-(2-methoxyphenyl)-3-oxopropionate, ACMC-20al2h, AC1MC0ZT, SCHEMBL954173, AC1Q34N2, Ethyl (o-methoxybenzoyl)acetate, CTK4I5022, KS-00001KJS, DTXSID30374882, KROPYAVVJDXRPH-UHFFFAOYSA-N, ZINC2243627, 5731AB, AB2845, MFCD01311633, ETHYL(2-METHOXYBENZOYL)ACETATE, AKOS009258915, 2-Methoxybenzoylacetic acid ethyl ester, Ethyl (2-methoxybenzoyl)acetate, 99%, MCULE-5243647023, NE34816, ETHYL (2-METHOXYBENZOYL) ACETATE, AJ-34365, AS-44663, SC-40563, SY050571, (2-Methoxybenzoyl)acetic Acid Ethyl Ester, DB-070203, TC-166976, E1120, FT-0735735, MFCD01311633 (97%), Benzenepropanoic acid,2-methoxy-b-oxo-, ethyl ester, I04-9162, 3-(2-Methoxyphenyl)-3-oxopropanoic acid ethyl ester, 3-(2-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester, Z1741794163, Ethyl(2-methyoxybenzoyl)acetate, C12H14O4, ZINC02243627, CID2759695,

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	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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