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Methylmalonic acid

CAT: 0127-BUP18432-02Size: 2 gDry Ice: NoHazardous: No
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CAT#:0127-BUP18432-02Size:2 g
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CAS Number
516-05-2
Synonyms
NSC 25201, MMA, Isosuccinic acid, Methylpropanedioic acid, Methylmalonate
Purity
=95%
Smiles
C(C(O)=O)(C(O)=O)C

Chemical Information

Methylmalonic Acid

Methylmalonic acid is a dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group. It has a role as a human metabolite. It is functionally related to a malonic acid. It is a conjugate acid of a methylmalonate(1-).

CAS Number516-05-2
PubChem CID487
IUPAC Name2-methylpropanedioic acid
Molecular FormulaC4H6O4
Molecular Weight118.09
XLogP0.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity103
SMILES
CC(C(=O)O)C(=O)O
InChI
InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
InChIKey
ZIYVHBGGAOATLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylmalonic Acid
CAS: 516-05-2
CID: 487
Formula: C4H6O4
MW: 118.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.09
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass118.02660867
Monoisotopic Mass118.02660867
Topological Polar Surface Area74.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity103
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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