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Substance Name: Mellitic acid
RN: 517-60-2
UNII: P80QSP14DM
InChIKey: YDSWCNNOKPMOTP-UHFFFAOYSA-N

Molecular Formula

  • C12-H6-O12

Molecular Weight

  • 342.167
 
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Names and Synonyms

Name of Substance

  • Mellitic acid

Synonyms

  • 1,2,3,4,5,6-Benzenehexacarboxylic acid
  • EINECS 208-243-6
  • Hexacarboxybenzene
  • Mellic acid
  • Mellitic acid
  • NSC 229358
  • UNII-P80QSP14DM

Systematic Name

  • Benzenehexacarboxylic acid

Registry Numbers

CAS Registry Number

  • 517-60-2

FDA UNII

  • P80QSP14DM

System Generated Number

  • 0000517602

Structure Descriptors

InChI

1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)

InChIKey

YDSWCNNOKPMOTP-UHFFFAOYSA-N

Smiles

c1(c(c(c(C(O)=O)c(c1C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 287 dec deg C   EXP
pKa Dissociation Constant 0.8 (none) 25 EXP
log P (octanol-water) 1.5 (none)   EXP
Water Solubility 362 mg/L 25 EST
Vapor Pressure 4.94E-16 mm Hg 25 EST
Henry's Law Constant 3.58E-31 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.12E-12 cm3/molecule-sec 25 EST

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