Ketcher 07261617012D 1   1.00000     0.00000     0

  9  8  0     0  0            999 V2000
   10.9515   -2.7269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8176   -4.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0855   -4.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9515   -3.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2195   -3.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3534   -4.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2194   -2.7270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5855   -5.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5855   -5.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0     0  0
  2  4  1  0     0  0
  3  4  1  0     0  0
  6  5  1  0     0  0
  7  5  2  0     0  0
  3  5  1  0     0  0
  8  3  1  0     0  0
  9  3  1  0     0  0
M  END
> <ID>
CHEBI:111517

> <NAME>
dimethylmalonic acid

> <DEFINITION>
A dicarboxylic acid that is malonic acid in which both methylene hydrogens have been replaced by methyl groups.

> <STAR>
3

> <SYNONYM>
2,2-Dimethylmalonic acid

> <IUPAC_NAME>
dimethylpropanedioic acid

> <FORMULA>
C5H8O4

> <MASS>
132.115

> <MONOISOTOPIC_MASS>
132.04226

> <CHARGE>
0

> <SMILES>
O=C(O)C(C(O)=O)(C)C

> <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

> <CAS_REGISTRY_NUMBER>
595-46-0

> <REAXYS_REGISTRY_NUMBER>
774375

> <CHEMIDPLUS>
595-46-0

> <NIST_CHEMISTRY_WEBBOOK>
595-46-0

> <PUBMED_CITATION>
10427013; 1793508; 23957650

$$$$