AG003RZ4

105-45-3 | Methyl 3-oxobutanoate

AG003RZ4

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CAS Number	105-45-3
Catalog Number	AG003RZ4(AGN-PC-07A23J)
Chemical Name	Methyl 3-oxobutanoate
EC Number	203-299-8
IUPAC Name	methyl 3-oxobutanoate
InChI	InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
InChI Key	WRQNANDWMGAFTP-UHFFFAOYSA-N
MDL Number	MFCD00008784
Molecular Formula	C5H8O3
Molecular Weight	116.1152
RTECS Number	AK5775000
SMILES	CC(CC(OC)=O)=O
UN Number	1993
UNII	CW4I82QAX1
Synonyms	acetoacetic acid methyl ester, methyl 3-oxobutanoate, methyl acetoacetate, METHYL ACETOACETATE, Methyl 3-oxobutanoate, 105-45-3, Acetoacetic acid methyl ester, Methylacetoacetate, Methyl 3-oxobutyrate, Butanoic acid, 3-oxo-, methyl ester, 3-Oxobutanoic acid methyl ester, Methyl acetylacetate, Methyl acetylacetonate, Acetoacetic methyl ester, Acetoacetic acid, methyl ester, 1-Methoxybutane-1,3-dione, UNII-CW4I82QAX1, methyl aceto acetate, Methylester kyseliny acetoctove, CCRIS 2302, Methylacetoacetic acid, 3-Oxobutyric Acid Methyl Ester, HSDB 1083, EINECS 203-299-8, Methylester kyseliny acetoctove [Czech], CW4I82QAX1, AI3-06000, 3-Oxbutanoic acid methyl ester, 3-oxo-butyric acid methyl ester, 3-oxo-Butanoic acid methyl ester, WRQNANDWMGAFTP-UHFFFAOYSA-N, MFCD00008784, Methyl acetoacetate, 99+%, methyl acetoactate, methylaceto acetate, MeCOCH2COOMe, methyl-3-oxobutanoate, methyl 3-oxo-butyrate, acetoacetic acid methyl, PubChem24182, Acetoacetate methyl ester, AC1L1PHF, Methyl 3-oxobutanoic acid, ACMC-1BRZ6, DSSTox_CID_6716, EC 203-299-8, AC1Q1K3W, AC1Q43ZL, SCHEMBL1162, DSSTox_RID_78197, DSSTox_GSID_26716, Acetoacetic acid-methyl ester, KSC492K2B, Methyl acetoacetate, >=99%, aceto-acetic acid methyl ester, methyl 3-oxidanylidenebutanoate, CHEMBL3186053, DTXSID9026716, CTK3J2520, 3-oxobutanoic acid, methyl ester, KS-00000UO7, ZINC5159232, Tox21_200162, ANW-15226, BBL011420, SBB060889, STL146527, AKOS000118978, MCULE-1265364784, RP19218, RTR-033935, TRA0004524, Methyl acetoacetate, analytical standard, NCGC00248545-01, NCGC00257716-01, AJ-53364, AK158902, AN-24714, CAS-105-45-3, CJ-12476, LS-13059, SC-65271, Methyl acetoacetate, ReagentPlus(R), 99%, ST2407218, TR-033935, A0650, FT-0621778, ST51046987, 75173-EP2272829A2, 75173-EP2295411A1, 75173-EP2295438A1, 75173-EP2308838A1, A801244, Methyl acetoacetate, Lonza quality, >=99% (GC), I14-2682, J-001423, J-522584, Methyl acetoacetate, Vetec(TM) reagent grade, 98%, F0001-0105, InChI=1/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H, Methyl acetoacetate, produced by Wacker Chemie AG, Burghausen, Germany, >=99.0% (GC), 34136-04-4, 3-oxobutanoate, 3-Oxo-butanoate, 3-oxobutanoic acid, Actoactate de mthyle, 3-oxo-butanoic acid, 2-Methylacetoacetic acid, MAE (CHRIS Code), (-)-Gallocatechin gallate, C5H8O3, CID7757, C5-H8-O3, AR-1E3844, NA1993, UN1993, Methyl Acetoacetate 98% for synthesis 500ml, MAA, 5349-69-9,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.047g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	116.116g/mol
Monoisotopic Mass	116.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number