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Dimethylmalonic acid

CAT: 0127-OR911410-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR911410-01Size:25 g
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CAS Number
595-46-0
MDL Number
MFCD00004193
Purity
98%
Smiles
CC(C)(C(=O)O)C(=O)O
Storage Conditions
Store at 2-8°C

Chemical Information

Dimethylmalonic acid

Dimethylmalonic acid is a dicarboxylic acid that is malonic acid in which both methylene hydrogens have been replaced by methyl groups. It has a role as a fatty acid synthesis inhibitor.

CAS Number595-46-0
PubChem CID11686
IUPAC Name2,2-dimethylpropanedioic acid
Molecular FormulaC5H8O4
Molecular Weight132.11
XLogP0.4
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity131
SMILES
CC(C)(C(=O)O)C(=O)O
InChI
InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
InChIKey
OREAFAJWWJHCOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethylmalonic acid
CAS: 595-46-0
CID: 11686
Formula: C5H8O4
MW: 132.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.11
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass132.04225873
Monoisotopic Mass132.04225873
Topological Polar Surface Area74.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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