cis-Aconitic acid - CAS 585-84-2

Catalog: BB030092
Product Name: cis-Aconitic acid
CAS: 585-84-2
Synonyms: (Z)-prop-1-ene-1,2,3-tricarboxylic acid
cis-Aconitic acid
IUPAC Name:(Z)-prop-1-ene-1,2,3-tricarboxylic acid
Description:cis-Aconitic acid (CAS# 585-84-2) is the cis-isomer of Aconitic Acid. The conjugate base of cis-Aconitic Acid is an intermediate in the isomerization of citrate and isocitrate in the citric acid cycle.
Molecular Weight:174.11
Molecular Formula:C6H6O6
Canonical SMILES:C(C(=CC(=O)O)C(=O)O)C(=O)O
InChI: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-
InChI Key:GTZCVFVGUGFEME-IWQZZHSRSA-N
Boiling Point:542.6 ℃ at 760 mmHg
Melting Point:194-195 °C (WITH DECOMP)
Density:1.66 g/cm3
Solubility:Partially soluble
Appearance:White to almost white powder
Decomposition:When heated to decomp ... Emits acrid smoke
MDL:MFCD00063184
LogP:-0.44330

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