AG003S0N

42558-54-3 | Methyl 4-methyl-3-oxopentanoate

AG003S0N

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CAS Number	42558-54-3
Catalog Number	AG003S0N(AGN-PC-0KKNM4)
Chemical Name	Methyl 4-methyl-3-oxopentanoate
EC Number	418-900-0
IUPAC Name	methyl 4-methyl-3-oxopentanoate
InChI	InChI=1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h5H,4H2,1-3H3
InChI Key	HNNFDXWDCFCVDM-UHFFFAOYSA-N
MDL Number	MFCD00040499
Molecular Formula	C7H12O3
Molecular Weight	144.1684
SMILES	CC(C(CC(=O)OC)=O)C
Synonyms	methyl 4-methyl-3-oxopentanoate, 42558-54-3, Methyl isobutyrylacetate, Methyl 4-methyl-3-oxovalerate, 4-Methyl-3-oxovaleric Acid Methyl Ester, methyl 4-methyl-3-oxo-pentanoate, Isobutyrylacetic Acid Methyl Ester, MFCD00040499, Iso-butyryl methyl acetate, methylisobutyrylacetate, AC1MC1MD, ACMC-209jq9, KSC237G2D, SCHEMBL118644, methyl 4-methyl-3oxopentanoate, Methyl4-Methyl-3-oxopentanoate, methyl 3-oxo-4-methylpentanoate, methyl-4-methyl-3-oxopentanoate, CTK1D7321, KS-00000BBX, DTXSID40374974, Dimethyl-acetessigsaure-methylester, HNNFDXWDCFCVDM-UHFFFAOYSA-N, BCP13418, ZINC2389939, ANW-29839, SBB086341, AKOS000120602, AC-7751, AN-8690, EBD2199775, GS-3203, MCULE-6584323849, RP20916, RP20921, RTX-010004, TRA0069264, 4-methyl-3-oxopentanic acid methyl ester, AJ-35635, AK-46521, BP-11277, BR-46521, SC-27474, SY001966, 3-Oxo-4-methylpentanoic acid methyl ester, 4-methyl-3-oxopentanoic acid methyl ester, 4-methyl-3-oxo-pentanoic acid methyl ester, AB0068885, ST2413422, FT-0627387, FT-0695951, I0592, M-6248, MFCD00040499 (97+%), Q-201378, F0001-1182, 875249-16-4, Isobutyryl methylacetate, Methyl isobutyryl acetate, C7H12O3, -2,2-dimethyl-1,3-dioxane-4-Acetate, ZINC02389939, CID2759969, EC 418-900-0, Methyl isobutyrylacetate, 98% - 100G 100g,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.17g/mol
Monoisotopic Mass	144.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H227-H315-H319-H335
Precuationary statements	P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number