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Substance Name: Benzene 1,2,3-tricarboxylic acid
RN: 569-51-7
UNII: CKU8PTZ7M8
InChIKey: UJMDYLWCYJJYMO-UHFFFAOYSA-N

Note

  • Inhibits phosphoenolpyruvate carboxykinase.

Molecular Formula

  • C9-H6-O6

Molecular Weight

  • 210.14
 
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Names and Synonyms

Name of Substance

  • Benzene 1,2,3-tricarboxylic acid

Synonyms

  • 1,2,3-Tricarboxybenzene
  • EINECS 209-317-0
  • Hemimellitic acid
  • NSC 401092
  • UNII-CKU8PTZ7M8

Systematic Name

  • Benzene-1,2,3-tricarboxylic acid

Registry Numbers

CAS Registry Number

  • 569-51-7

FDA UNII

  • CKU8PTZ7M8

System Generated Number

  • 0000569517

Structure Descriptors

InChI

1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)

InChIKey

UJMDYLWCYJJYMO-UHFFFAOYSA-N

Smiles

c1(c(cccc1C(O)=O)C(O)=O)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 200 deg C   EXP
pKa Dissociation Constant 2.84 (none) 25 EXP
log P (octanol-water) 0.610 (none)   EST
Water Solubility 3.06E+04 mg/L 19 EXP
Vapor Pressure 2.88E-08 mm Hg 25 EST
Henry's Law Constant 4.39E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.63E-12 cm3/molecule-sec 25 EST

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