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Substance Name: 1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel-
RN: 2305-32-0
InChIKey: QSAWQNUELGIYBC-WDSKDSINSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C8-H12-O4

Molecular Weight

  • 172.179
 
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Names and Synonyms

Synonyms

  • AI3-18155
  • EINECS 218-975-8

Systematic Names

  • 1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel-
  • trans-Cyclohexane-1,2-dicarboxylic acid

Registry Numbers

CAS Registry Number

  • 2305-32-0

Other Registry Number

  • 610-10-6

System Generated Number

  • 0002305320

Structure Descriptors

InChI

1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m0/s1

InChIKey

QSAWQNUELGIYBC-WDSKDSINSA-N

Smiles

OC(=O)[C@@H]1[C@@H](C(=O)O)CCCC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.950 (none)   EST
Water Solubility 2000 mg/L 20 EXP
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

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