Cis-aconitic Acid

Cis-aconitic Acid bmse000705 - Data

Cis_aconitic_acid synonyms

(Z)-1-propene-1,2,3-tricarboxylic acid; (1Z)-prop-1-ene-1,2,3-tricarboxylic acid; (Z)-1-Propene-1,2,3-tricarboxylic acid; Achilleaic acid; trans-Aconitic acid; 1-Propene-1,2,3-tricarboxylic acid; cis-Propene-1,2,3-tricarboxylic acid; cis-1-propene-1,2,3-tricarboxylic acid; cis-Aconitic acid; (E)-1-Propene-1,2,3-tricarboxylic acid; cis-Aconitate

Wikipedia:

Graphical representations:

cis_aconitic_acid

View large 3D structure

Molecular Formula: C6H6O6

Natural Isotopic Abundance Mass: 174.10824

Mono-Isotopic Molecular Masses:

  • C12N14: 174.0164379252
  • C13N14: 180.036566952
  • C12N15: 174.0164379252
  • C13N15: 180.036566952

InChI string: InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-

PubChem Compound (CID): 643757
CAS Registry number: 585-84-2
Sigma-Aldrich: A3412_SIGMA
ChEBI: CHEBI:32805
Emory University Molecular Libraries Screening Center: NCI7616
KEGG Compound ID: C00417
NIST Chemistry WebBook: 1360014820
NIST: 1360014820
CAS Registry number: 585-84-2
MDL: MFCD00063184

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)