3-methylglutaric Acid

3-methylglutaric Acid bmse000575 - Data

3_methylglutaric_acid synonyms

Pentanedioic acid, 3-methyl-; 3-Methylpentanedioic acid; 3-Methylglutaric acid; 3-METHYLGLUTARIC ACID

Wikipedia:

Graphical representations:

3_methylglutaric_acid

View large 3D structure

Molecular Formula: C6H10O4

Natural Isotopic Abundance Mass: 146.1412

Mono-Isotopic Molecular Masses:

  • C12N14: 146.0579088094
  • C13N14: 152.0780378362
  • C12N15: 146.0579088094
  • C13N15: 152.0780378362

InChI string: InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)

PubChem Compound (CID): 12284
CAS Registry number: 626-51-7
Sigma-Aldrich: 66990_FLUKA
ChemIDplus: 000626517
EINECS: 210-951-5
ChemDB: 4736539
DTP/NCI: 14870
NIST: 4141894834
MMCD: cq_10777
MDL: MFCD00002727

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)