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4-Methylpentanoic Acid-[d12]

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General Information
Catalog: BLP-014798
CAS: 116287-57-1
Molecular Formula: C6D12O2
Molecular Weight: 128.23

Chemical Structure

Description	4-Methylpentanoic Acid-[d12] is the deuterium labelled 4-Methylpentanoic acid. 4-Methylpentanoic acid (Isocaproic Acid) is a short chain fatty acid (SCFA).
Synonyms	4-Methylpentanoic Acid-d12; d12-4-Methylpentanoic Acid
IUPAC Name	deuterio 2,2,3,3,4,5,5,5-octadeuterio-4-(trideuteriomethyl)pentanoate
Related CAS	646-07-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C(=O)O[2H]
Canonical SMILES	CC(C)CCC(=O)O
InChI	InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/i1D3,2D3,3D2,4D2,5D/Hd
InChI Key	FGKJLKRYENPLQH-BTXGSBRHSA-N
Purity	98% atom D
Appearance	Liquid
Storage	-20°C