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Substance Name: cis-Aconic acid
RN: 585-84-2
UNII: OF5471ZHRR
InChIKey: GTZCVFVGUGFEME-IWQZZHSRSA-N

Molecular Formula

  • C6-H6-O6

Molecular Weight

  • 174.107
 
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Names and Synonyms

Results Name

  • cis-Aconic acid

Name of Substance

  • Aconitic acid, (Z)-

Synonyms

  • 1,cis-2,3-Propenetricarboxylic acid
  • 1-Propene-1,2,3-tricarboxylic acid, cis-
  • Aconitic acid, cis-
  • cis-Aconic acid
  • cis-Aconitate
  • cis-Aconitic acid
  • cis-Aconitum acid
  • cis-Oxaloacetic acid
  • EINECS 209-564-4
  • NSC 227901
  • UNII-OF5471ZHRR

Systematic Names

  • (Z)-1-Propene-1,2,3-tricarboxylic acid
  • 1-Propene-1,2,3-tricarboxylic acid, (1Z)-
  • 1-Propene-1,2,3-tricarboxylic acid, (Z)- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 585-84-2

FDA UNII

  • OF5471ZHRR

System Generated Number

  • 0000585842

Structure Descriptors

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-

InChIKey

GTZCVFVGUGFEME-IWQZZHSRSA-N

Smiles

C(\CC(O)=O)(=C\C(O)=O)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.140 (none)   EST
Water Solubility 4.00E+05 mg/L 25 EXP
Atmospheric OH Rate Constant 1.29E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.