AG0035LA

4502-00-5 | Sodium 4-methyl-2-oxopentanoate

AG0035LA

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CAS Number	4502-00-5
Catalog Number	AG0035LA(AGN-PC-0RTAHG)
Chemical Name	Sodium 4-methyl-2-oxopentanoate
EC Number	224-816-3
IUPAC Name	sodium;4-methyl-2-oxopentanoate
InChI	InChI=1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1
InChI Key	IXFAZKRLPPMQEO-UHFFFAOYSA-M
MDL Number	MFCD00064193
Molecular Formula	C6H9NaO3
Molecular Weight	152.1236
SMILES	CC(CC(C(=O)[O-])=O)C.[Na+]
UNII	815X976CPY
Synonyms	sodium 4-methyl-2-oxopentanoate, 4502-00-5, Sodium 4-methyl-2-oxovalerate, Sodium alpha-ketoisocaproate, Sodium ketoisocaproate, 4-Methyl-2-oxopentanoic acid sodium salt, 2-Ketoisocaproic Acid Sodium Salt, UNII-815X976CPY, Sodium 2-Ketoisocaproate, 815X976CPY, W-106166, SMR000875302, Ketoleucine sodium salt, Ketoleucine sodium, EINECS 224-816-3, Sodium |A-oxoisocaproate, C6H9NaO3, Sodium |A-Ketoisocaproate, Pentanoic acid, 4-methyl-2-oxo-, sodium salt, Sodium |A-Keto-isocaproate, MLS001333649, MLS001333650, AC1N51G7, AC1Q1V41, SCHEMBL1532427, CHEMBL2142054, sodium;4-methyl-2-oxopentanoate, CTK1D5676, DTXSID70196363, 4-methyl-2-oxo-pentanoate sodium, IXFAZKRLPPMQEO-UHFFFAOYSA-M, a-Ketoisocaproic acid, sodium salt, HMS2233D10, HMS3372L01, MFCD00064193, AKOS015905337, AKOS024462567, 4-Methyl-2-oxo-pentanoate sodium salt, ACM4502005, TRA0011779, 4-Methyl-2-oxovaleric acid sodium salt, 2-Oxo-4-methylpentanoic Acid Sodium Salt, AK162132, AS-15036, CC-19840, FS003002, SC-19264, 2-Oxo-4-methyl pentanoic acid sodium salt, sodium 4-methyl-2-oxidanylidene-pentanoate, AX8098783, TX-016455, FT-0635329, ST24049258, EN300-220925, K-8994, K10900, A826704, I14-2362, Sodiumketoisocaproate, C6-H10-O3.Na, |A-Ketoisocaproic acid sodium salt, CID78258, AR-1L4876, CID4137900, N725, 86362-17-6,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.045g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.125g/mol
Monoisotopic Mass	152.045g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number