AG003LQB

816-66-0 | 4-Methyl-2-oxopentanoic acid

AG003LQB

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CAS Number	816-66-0
Catalog Number	AG003LQB(AGN-PC-00FS03)
Chemical Name	4-Methyl-2-oxopentanoic acid
EC Number	212-435-5
FEMA Number	3871
IUPAC Name	4-methyl-2-oxopentanoic acid
InChI	InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChI Key	BKAJNAXTPSGJCU-UHFFFAOYSA-N
MDL Number	MFCD00066204
Molecular Formula	C6H10O3
Molecular Weight	130.1418
SMILES	CC(C)CC(C(O)=O)=O
UNII	4GUJ8AH400
Synonyms	2-keto-4-methylvalerate, 2-ketoisocaproate, 2-oxo-4-methylpentanoic acid, 2-oxo-4-methylvaleric acid, 2-oxoisocaproic acid, 4-methyl-2-oxopentanoate, 4-methyl-2-oxopentanoic acid, 4-methyl-2-oxovalerate, alpha-keto-isocaproic acid, alpha-ketoisocaproate, alpha-ketoisocaproic acid, alpha-ketoisocaproic acid, calcium salt, alpha-ketoisocaproic acid, sodium salt, alpha-oxoisocaproate, ketoleucine, 4-methyl-2-oxopentanoic acid, 4-Methyl-2-oxovaleric acid, 816-66-0, alpha-Ketoisocaproic acid, Ketoleucine, alpha-ketoisocaproate, 2-OXO-4-METHYLPENTANOIC ACID, Pentanoic acid, 4-methyl-2-oxo-, 2-Oxoisocaproate, 2-Oxoisohexanoate, 4-methyl-2-oxopentanoate, alpha-oxoisocaproate, .alpha.-Ketoisocaproic acid, alpha-Oxoisohexanoate, 2-Oxoisocaproic acid, ketoisocaproate, 4-methyl-2-oxo-pentanoic acid, UNII-4GUJ8AH400, 2-KETOISOCAPROIC ACID, Isopropylpyruvic acid, a-Ketoisocaproic acid, 2-ketoisocaproate, 2-oxo-4-methylpentanoate, 2-Keto-4-methylpentanoic acid, 4GUJ8AH400, CHEMBL445647, CHEBI:48430, BKAJNAXTPSGJCU-UHFFFAOYSA-N, MFCD00066204, 2-keto-4-methyl-pentanoate, COI, 4-methyl-2-oxopentans, 2-keto-4-Methylvalerate, alpha-keto-isocaproic acid, 2-Oxo-4-methylvaleric acid, oxoisocaproate, a-Oxoisocaproate, Methyloxovalerate, a-Ketoisocaproate, 2-Oxoleucine, oxoisocaproic acid, a-Ketoisocapronate, ketoisocaproic acid, EINECS 212-435-5, a-Oxoisocaproic acid, alpha-Ketoisocapronate, alpha-keto-isocaproate, a-Ketoisocapronic acid, 4h7q, alpha-Oxoisocaproic acid, 2-Oxo-4-methylvalerate, AC1Q5BXB, alpha-Ketoisocapronic acid, 4-methyl-2-oxo-Valerate, 4-Methyl-2-oxovalericAcid, ACMC-209pm0, bmse000383, AC1L18EV, 2K-4CH3-PENTANOATE, SCHEMBL43491, 2-keto-4-Methylvaleric acid, 4-methyl,2-oxopentanoic acid, 4-methyl-2-oxo-Valeric acid, 4-methyl-2-oxo pentanoic acid, GTPL4656, DTXSID6061157, 4-Methyl-2-oxopentanoic acid #, CTK3I9720, ZINC1532578, ANW-37462, BDBM50390988, AKOS009157216, CS-W013438, DB03229, HY-W012722, MCULE-4155006996, RTR-032363, TRA0100462, VZ20257, KS-000014Q6, NCGC00246997-01, NCGC00246997-02, AC-15579, AJ-26786, AN-22164, SC-13856, DB-056548, TR-032363, FT-0619014, K0025, ST51015029, 4-Methyl-2-oxovaleric acid, >=98.0% (T), C00233, 816K660, W-104201, I14-13718, FC872D44-3E9A-431D-9F84-6FEF64BFEF19, methyloxovaleric acid, Alpha-Ketoisocaproicacid, 4-methyl-2-oxovalerate, D0X7JA, CID70, 2-Methyl-5-oxopentanoic acid, AR-1G3407, C6-H10-O3, alpha-ketoisocaproic acid, sodium salt, alpha-ketoisocaproic acid, calcium salt, |A inverted exclamation mark-Ketoisocaproic acid, C013082, 86362-36-9,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	130.063g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	130.143g/mol
Monoisotopic Mass	130.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

Lot Number