AG003JPB

1460-34-0 | 2-​Oxo-​3-​methylvaleric acid

AG003JPB

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CAS Number	1460-34-0
Catalog Number	AG003JPB(AGN-PC-0A19SH)
Chemical Name	2-​Oxo-​3-​methylvaleric acid
FEMA Number	3870
IUPAC Name	3-methyl-2-oxopentanoic acid
InChI	InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChI Key	JVQYSWDUAOAHFM-UHFFFAOYSA-N
MDL Number	MFCD00002582
Molecular Formula	C6H10O3
Molecular Weight	130.1418
SMILES	O=C(C(=O)O)C(CC)C
Synonyms	2-keto methylvalerate, 2-keto-3-methylvaleric acid, 2-oxo-3-methylvalerate, 3-methyl-2-oxopentanoate, alpha-keto-beta-methyl-n-valeric acid, alpha-keto-beta-methylvalerate, alpha-keto-beta-methylvaleric acid, alpha-keto-beta-methylvaleric acid, (+-)-isomer, alpha-keto-beta-methylvaleric acid, (S)-isomer, alpha-keto-beta-methylvaleric acid, calcium salt, alpha-keto-beta-methylvaleric acid, calcium salt, (S)-isomer, alpha-keto-beta-methylvaleric acid, monosodium salt, (S)-isomer, alpha-keto-beta-methylvaleric acid, sodium salt, alpha-keto-beta-methylvaleric acid, sodium salt, (+-)-isomer, KMVA, 3-Methyl-2-oxovaleric acid, 3-Methyl-2-oxopentanoic acid, 1460-34-0, alpha-Keto-beta-methylvaleric acid, 2-Oxo-3-methylvalerate, ketoisoleucine, 2-oxoisoleucine, 2-oxo-3-methyl-n-valeric acid, 3-methyl-2-oxopentanoate, 3-Methyl-2-oxovaleric, alpha-keto-beta-methyl-n-valeric acid, 2-Oxo-3-methylpentanoic acid, 3-Ethyl-3-methylpyruvic acid, 3-methyl-2-oxo-pentanoic acid, alpha-oxo-beta-methylvaleric acid, JVQYSWDUAOAHFM-UHFFFAOYSA-N, 2-OXO-3-METHYLVALERIC ACID, alpha-oxo-beta-methyl-n-valeric acid, alpha-Keto-beta-methylvalerate, 39748-49-7, 3-Methyl-2-oxovalerate, 2-keto-3-methylvalerate, 2-oxo-3-methylpentanoate, alpha-Oxo-beta-methylvalerate, 3-methyl-2-oxopentans, 2-keto-3-methylvaleric acid, (R)-3-Methyl-2-oxopentanoic acid, 2-oxokolavenate, (1)-3-Methyl-2-oxovaleric acid, Pentanoic acid, 3-methyl-2-oxo-, EINECS 215-955-0, EINECS 254-616-1, a-Oxo-b-methylvalerate, a-Keto-b-methylvalerate, AC1Q5BWY, methyl ethyl pyruvic acid, 3-methyl-2-oxo-Valerate, ACMC-1BXT3, a-Oxo-b-methyl-n-valerate, a-Oxo-b-methylvaleric acid, 3-methyl-2-oxo-pentanoate, C03465, a-keto-b-Methyl-n-valerate, a-Keto-b-methylvaleric acid, AC1L18CY, 2-Oxo-3-methyl-n-valerate, SCHEMBL43232, 3-methyl-2-oxo-Valeric acid, 2-keto-3-methyl-valeric acid, a-Oxo-b-methyl-n-valeric acid, (r)-3-methyl-2-oxopentanoate, a-keto-b-Methyl-n-valeric acid, Jsp002679, alpha-Oxo-beta-methyl-n-valerate, CHEBI:35932, CTK4C4788, Pentanoic acid,3-methyl-2-oxo-, (3R)-3-Methyl-2-oxopentanoate, alpha-keto-beta-methyl-n-valerate, ANW-20983, MFCD00002582, AKOS006220526, 3-Methyl-2-oxopentanoic acid, AldrichCPR, HY-113063, TC-109728, CS-0059473, FT-0628729, FT-0703216, K0020, I04-1353, W-108131, alpha-ketoisoleucine, 2-oxokolavenic acid, KMVA, 2-keto methylvalerate, UNII-787T50HCIV, CID47, (S)-3-methyl-2-oxopentanoate, 787T50HCIV, C6H10O3, (+-)-3-methyl-2-oxovaleric acid, (S)-3-Methyl-2-oxopentanoic acid, (3R)-3-Methyl-2-oxopentanoic acid, AR-1F4216, C6-H10-O3, alpha-keto-beta-methylvaleric acid, (S)-isomer, alpha-keto-beta-methylvaleric acid, sodium salt, alpha-keto-beta-methylvaleric acid, (+-)-isomer, alpha-keto-beta-methylvaleric acid, calcium salt, C016211, alpha-keto-beta-methylvaleric acid, calcium salt, (S)-isomer, alpha-keto-beta-methylvaleric acid, monosodium salt, (S)-isomer, alpha-keto-beta-methylvaleric acid, sodium salt, (+-)-isomer, 3896-24-0,

Complexity	128
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	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number