AG007JVF

2881-83-6 | Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate

AG007JVF

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CAS Number	2881-83-6
Catalog Number	AG007JVF(AGN-PC-0R4L9Q)
Chemical Name	Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate
EC Number	220-733-1
IUPAC Name	ethyl 3-(4-methoxyphenyl)-3-oxopropanoate
InChI	InChI=1S/C12H14O4/c1-3-16-12(14)8-11(13)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3
InChI Key	KRAHENMBSVAAHD-UHFFFAOYSA-N
MDL Number	MFCD00449636
Molecular Formula	C12H14O4
Molecular Weight	222.2372
NSC Number	69701
SMILES	O=C(OCC)CC(C1=CC=C(OC)C=C1)=O
Synonyms	2881-83-6, ethyl 3-(4-methoxyphenyl)-3-oxopropanoate, Ethyl 4-methoxybenzoylacetate, Ethyl p-anisoylacetate, Ethyl (4-methoxybenzoyl)acetate, Ethyl 3-(4-methoxyphenyl)-3-oxopropionate, 4-Methoxybenzoylacetic Acid Ethyl Ester, ethyl(4-methoxybenzoyl)acetate, MOBEE, Ethyl (p-methoxybenzoyl)acetate, (4-Methoxybenzoyl)acetic acid, ethyl ester, ethyl p-methoxybenzoylacetate, ethyl-4-methoxybenzoylacetate, Benzenepropanoic acid, 4-methoxy-.beta.-oxo-, ethyl ester, 2-(p-Methoxybenzoyl)acetic acid ethyl ester, Ethyl 3-(4-methoxyphenyl)-3-oxo-propanoate, KRAHENMBSVAAHD-UHFFFAOYSA-N, Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester, 3-(4-methoxy-phenyl)-3-oxo-propionic acid ethyl ester, EINECS 220-733-1, NSC 69701, Acetic acid, p-anisoyl-, ethyl ester, PubChem2690, ACMC-1CAXG, AI3-10534, AC1L2QA1, AC1Q64ZB, etyl paramethoxybenzoylacetate, SCHEMBL314216, DTXSID5062683, CTK1A2874, p-Anisoylacetic Acid Ethyl Ester, ACN-P000896, ALBB-021378, NSC69701, ZINC1695805, AB2847, ANW-26480, BBL004947, MFCD00449636, NSC-69701, STL137729, 4-methoxybenzoylacetic acid ethylester, AKOS000277785, AC-7799, AN-8615, CS-W008949, MCULE-8455152697, AJ-30294, AK-81870, CJ-06588, CJ-28449, DS-16440, ethyl 3-(4-methoxyphenyl)3-oxopropanoate, (4-Methoxybenzoyl)acetic Acid Ethyl Ester, DB-068004, ethyl 3-oxo-3-(4-methoxyphenyl)propanoate, RT-003273, ST2412954, FT-0658562, M1380, M-7854, I01-1668, W-109834, 3-(4-methoxyphenyl)-3-oxo-propionic acid ethyl ester, 3-(4-Methoxyphenyl)-3-oxopropionic Acid Ethyl Ester, F0001-0903, Z1741979578, Ethyl 3-(4-methoxyphenyl)-3-oxopropionate, produced by Wacker Chemie AG, Burghausen, Germany, >=97.0% (GC), Acetic acid, ethyl ester, Benzenepropanoic acid, ethyl ester, ETHYL4-METHOXYBENZOYLACETATE, C12H14O4, CID76150, AR-1J0274, C12-H14-O4, Ethyl3-(4-methoxyphenyl)-3-oxopropanoate, Ethyl 3-(4-Methoxy-phenyl)-3-oxopropanoate, 29687-52-3,

Complexity	241
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	1
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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