AG003QGT

17094-34-7 | Ethyl 4,4-dimethyl-3-oxopentanoate

AG003QGT

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CAS Number	17094-34-7
Catalog Number	AG003QGT(AGN-PC-0JLWHF)
Chemical Name	Ethyl 4,4-dimethyl-3-oxopentanoate
EC Number	241-162-4
IUPAC Name	ethyl 4,4-dimethyl-3-oxopentanoate
InChI	InChI=1S/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H2,1-4H3
InChI Key	VUYNTIDSHCJIKF-UHFFFAOYSA-N
MDL Number	MFCD00042886
Molecular Formula	C9H16O3
Molecular Weight	172.2215
SMILES	CC(C)(C)C(CC(OCC)=O)=O
Synonyms	Ethyl 4,4-dimethyl-3-oxopentanoate, 17094-34-7, Ethyl pivaloylacetate, Ethyl 4,4,4-trimethylacetoacetate, Ethyl 4,4-dimethyl-3-oxovalerate, 4,4-Dimethyl-3-oxovaleric acid ethyl ester, Pivaloylacetic Acid Ethyl Ester, Ethyl 4,4-dimethyl-3-oxo-pentanoate, Pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester, VUYNTIDSHCJIKF-UHFFFAOYSA-N, MFCD00042886, 4,4-dimethyl-3-oxo-pentanoic acid ethyl ester, W-110449, Ethylpivaloylacetate, EINECS 241-162-4, ethyl pivaloyl acetate, PubChem19816, AI3-19273, AC1L3CNB, ACMC-209e1y, AC1Q5C2F, SCHEMBL66328, Valeric acid, 4,4-dimethyl-3-oxo-, ethyl ester, KSC496G5T, DTXSID0066161, pivaloyl acetic acid ethyl ester, CTK3J6359, VUYNTIDSHCJIKF-UHFFFAOYSA-, ethyl4,4-dimethyl-3-oxopentanoate, ZINC2584405, Ethyl 3-oxo-4,4-dimethylpentanoate, 8787AA, ANW-22484, STL185692, Ethyl (2,2-dimethylpropionyl)acetate, AKOS000120574, MCULE-3793554695, ACM17094347, Ethyl pivaloylacetate, >=97.0% (GC), AC-10067, AJ-43437, CJ-10365, DA-09360, SC-91224, AX8129492, RT-002978, D1891, FT-0617086, FT-0657100, ST24030582, ST50825011, C-48185, I14-0546, I14-4695, InChI=1/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H2,1-4H3, C9H16O3, CID86950, AR-1I9010, C9-H16-O3, ZINC02584405, 17418-07-4,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.11g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.224g/mol
Monoisotopic Mass	172.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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