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Substance Name: (-)-2,3-Dimethylbutane-1,2,3-tricarboxylic acid
RN: 2385-74-2
InChIKey: MJCJFUJXVGIUOD-UHFFFAOYSA-N

Molecular Formula

  • C9-H14-O6

Molecular Weight

  • 218.204
 
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Names and Synonyms

Synonym

  • EINECS 219-192-4

Systematic Name

  • (-)-2,3-Dimethylbutane-1,2,3-tricarboxylic acid

Registry Numbers

CAS Registry Number

  • 2385-74-2

System Generated Number

  • 0002385742

Structure Descriptors

InChI

1S/C9H14O6/c1-8(2,6(12)13)9(3,7(14)15)4-5(10)11/h4H2,1-3H3,(H,10,11)(H,12,13)(H,14,15)

InChIKey

MJCJFUJXVGIUOD-UHFFFAOYSA-N

Smiles

OC(=O)C[C@@](C)(C(=O)O)C(C)(C)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.240 (none)   EST
Water Solubility 1.11E+05 mg/L 16 EXP
Atmospheric OH Rate Constant 2.92E-12 cm3/molecule-sec 25 EST

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