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2-Hydroxy-4-methylvaleric acid (C6H12O3)

2-Hydroxy-4-methylvaleric acid presents a C6 framework, a carboxylic acid (formula C6H12O3, CAS 498-36-2). ChemicalHelper Reaction can propose ranked disconnections for 2-Hydroxy-4-methylvaleric acid from the SMILES CC(C)CC(O)C(=O)O.

Target
2-Hydroxy-4-methylvaleric acid
CAS
498-36-2
Formula
C6H12O3
Approx. MW
132.16
SMILES
CC(C)CC(O)C(=O)O
PubChem CID
92779
Approx. carbons
C6

2-Hydroxy-4-methylvaleric acid structure

Properties

IUPAC name
2-hydroxy-4-methylpentanoic acid
Common names
498-36-2; 2-Hydroxy-4-methylvaleric acid; Leucic acid; alpha-Hydroxyisocaproic acid; Pentanoic acid, 2-hydroxy-4-methyl-; DL-alpha-Hydroxyisocaproic acid; 8RN4NSX3TY; CHEBI:59783; RefChem:798973; (+-)-2-Hydroxyisocaproic acid
Molecular weight
132.16
Exact mass
132.08
InChIKey
LVRFTAZAXQPQHI-UHFFFAOYSA-N
Melting point
76.00 °C. @ 760.00 mm Hg
Boiling point
249.00 °C. @ 760.00 mm Hg

View on PubChem

2-Hydroxy-4-methylvaleric acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Hydroxy-4-methylvaleric acid?

2-Hydroxy-4-methylvaleric acid has molecular formula C6H12O3. Molecular weight about 132.16 g·mol⁻¹.

What is the CAS number of 2-Hydroxy-4-methylvaleric acid?

The CAS Registry Number for 2-Hydroxy-4-methylvaleric acid is 498-36-2.

Run AI retrosynthesis for 2-Hydroxy-4-methylvaleric acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H12O3.

Related targets

Similar compounds

2-Hydroxyhexanoic acid3-Hydroxy-3-methylpentanoic acidButoxyacetic acid2-(carbamoylamino)pentanedioic acid2-Amino-3-methylpentanoic acid2-Amino-D-gluconic acid

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References & tools