Cas no 67805-22-5 (ethyl hydrogen cyclohexane-1,2-dicarboxylate)

ethyl hydrogen cyclohexane-1,2-dicarboxylate structure
67805-22-5 structure
Product Name:ethyl hydrogen cyclohexane-1,2-dicarboxylate
CAS No:67805-22-5
MF:C10H16O4
MW:200.231643676758
CID:967105
PubChem ID:86577
Update Time:2025-04-19

ethyl hydrogen cyclohexane-1,2-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl hydrogen cyclohexane-1,2-dicarboxylate
    • NS00037837
    • 2-ethoxycarbonylcyclohexane-1-carboxylic acid
    • DTXSID70913698
    • 17488-76-5
    • XGRJGTBLDJAHTL-UHFFFAOYSA-N
    • SCHEMBL1296411
    • EINECS 307-714-4
    • EINECS 241-502-1
    • 1,2,3,4,5,6-hexahydrophthalic acid monoethyl ester
    • 97718-55-3
    • AKOS022646399
    • 2-(ethoxycarbonyl)cyclohexanecarboxylic acid
    • Monoethyl cyclohexane-1,2-dicarboxylate
    • EINECS 267-190-7
    • NS00126605
    • 67805-22-5
    • (1RS,2RS)-2-(ethoxycarbonyl)cyclohexanecarboxylic acid
    • Ethyl hydrogen trans-cyclohexane-1,2-dicarboxylate
    • Monoethyl cyclohexane-1,2-dicarboxylate (cis)-
    • 2-(ethoxycarbonyl)cyclohexanecarboxylicacid
    • 2-(ETHOXYCARBONYL)CYCLOHEXANE-1-CARBOXYLIC ACID
    • Inchi： 1S/C10H16O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)
    • InChI Key： XGRJGTBLDJAHTL-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1CCCCC1C(=O)O)=O

Computed Properties

  • Exact Mass: 199.09705
  • Monoisotopic Mass: 200.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 224
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Density: 1.158
  • Boiling Point: 317.4°C at 760 mmHg
  • Flash Point: 121°C
  • Refractive Index: 1.483
  • PSA: 66.43

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