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2-hydroxy-2-methyl-4-oxopentanedioic acid

CAT: 1299-RG-E141038-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E141038-01Size:10 mg
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CAS Number
19071-44-4
Synonyms
2-hydroxy-2-methyl-4-oxopentanedioic acid
Molecular Formula
C6H8O6
Molecular Weight
176.12
Product Name Synonym
2-hydroxy-2-methyl-4-oxopentanedioic acid

Chemical Information

2-Hydroxy-2-methyl-4-oxopentanedioic acid

4-hydroxy-4-methyl-2-oxoglutaric acid is a tertiary alcohol and an oxo dicarboxylic acid. It is functionally related to a glutaric acid. It is a conjugate acid of a 4-hydroxy-4-methyl-2-oxoglutarate(2-).

CAS Number19071-44-4
PubChem CID440249
IUPAC Name2-hydroxy-2-methyl-4-oxopentanedioic acid
Molecular FormulaC6H8O6
Molecular Weight176.12
XLogP-1.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity232
SMILES
CC(CC(=O)C(=O)O)(C(=O)O)O
InChI
InChI=1S/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)
InChIKey
YRWAMSXHYBBHFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-2-methyl-4-oxopentanedioic acid
CAS: 19071-44-4
CID: 440249
Formula: C6H8O6
MW: 176.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.12
XLogP3-1.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass176.03208797
Monoisotopic Mass176.03208797
Topological Polar Surface Area112 Ų
Heavy Atom Count12
Formal Charge0
Complexity232
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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