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Substance Name: 1,2-Cyclohexanedicarboxylic acid, 1,1'-(2-carboxy-2-methyl-1,3-propanediyl) ester
RN: 68901-21-3
InChIKey: XUOHMOHDURPJMM-UHFFFAOYSA-N

Molecular Formula

  • C21-H30-O10

Molecular Weight

  • 442.458
 
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Names and Synonyms

Synonyms

  • Dimethylolpropionic acid, hexahydrophthalic diester
  • EINECS 272-664-1

Systematic Names

  • 1,2-Cyclohexanedicarboxylic acid, 1,1'-(2-carboxy-2-methyl-1,3-propanediyl) ester
  • 1,2-Cyclohexanedicarboxylic acid, 2-carboxy-2-methyl-1,3-propanediyl ester
  • 2-Carboxy-2-methylpropane-1,3-diyl cyclohexane-1,2-dicarboxylate

Registry Numbers

CAS Registry Number

  • 68901-21-3

System Generated Number

  • 0068901213

Structure Descriptors

InChI

1S/C21H30O10/c1-21(20(28)29,10-30-18(26)14-8-4-2-6-12(14)16(22)23)11-31-19(27)15-9-5-3-7-13(15)17(24)25/h12-15H,2-11H2,1H3,(H,22,23)(H,24,25)(H,28,29)

InChIKey

XUOHMOHDURPJMM-UHFFFAOYSA-N

Smiles

O=C(OCC(C(=O)O)(C)COC(=O)[C@@H]1[C@@H](C(=O)O)CCCC1)[C@@H]1[C@@H](C(=O)O)CCCC1