rel-1-Methyl (1R,2S)-1,2-cyclohexanedicarboxylate

CAS Registry Number®

111955-05-6
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CAS Name

rel-1-Methyl (1R,2S)-1,2-cyclohexanedicarboxylate

Molecular Formula

C9H14O4

Molecular Mass

186.21

Cite this Page

rel-1-Methyl (1R,2S)-1,2-cyclohexanedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111955-05-6 (retrieved 2024-08-07) (CAS RN: 111955-05-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    82 °C @ Press: 0.5 Torr

  • Melting Point (2)

    68-69 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C9H14O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7+/s2

InChIKey

InChIKey=BOVPVRGRPPYECC-JHPDDGAFNA-N

SMILES

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

Canonical SMILES

O=C(O)C1CCCCC1C(=O)OC

Other Names for this Substance

  • 1,2-Cyclohexanedicarboxylic acid, 1-methyl ester, (1R,2S)-rel-
  • 1,2-Cyclohexanedicarboxylic acid, monomethyl ester, cis-(±)-
  • 1,2-Cyclohexanedicarboxylic acid, monomethyl ester, (1R,2S)-rel-
  • rel-1-Methyl (1R,2S)-1,2-cyclohexanedicarboxylate
  • 1,2-Cyclohexanedicarboxylic acid, monomethyl ester, cis-

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Deleted or Replaced CAS Registry Numbers

2778-62-3