Cas no 6998-82-9 (1,3-Cyclohexanedicarboxylicacid, dimethyl ester, (1R,3S)-rel- (9CI))

1,3-Cyclohexanedicarboxylicacid, dimethyl ester, (1R,3S)-rel- (9CI) structure
6998-82-9 structure
Product Name:1,3-Cyclohexanedicarboxylicacid, dimethyl ester, (1R,3S)-rel- (9CI)
CAS No:6998-82-9
MF:C10H16O4
MW:200.231643676758
CID:504156
PubChem ID:138896
Update Time:2025-04-19

1,3-Cyclohexanedicarboxylicacid, dimethyl ester, (1R,3S)-rel- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanedicarboxylicacid, dimethyl ester, (1R,3S)-rel- (9CI)
    • AM806015
    • DS-6647
    • CYCLOHEXANE-1,3-DICARBOXYLIC ACID DIMETHYL ESTER
    • MFCD07779254
    • trans-Cyclohexane-1,3-dicarboxylic acid dimethyl ester
    • BCP09271
    • AKOS016014024
    • 62638-06-6
    • 6998-82-9
    • EN300-74718
    • dimethyl 1,3-cyclohexanedicarboxylate
    • DTXSID80905266
    • CS-0038065
    • BZUOYGUOKMUSPA-UHFFFAOYSA-N
    • 1,3-Cyclohexanedicarboxylic acid, dimethyl ester
    • AB89886
    • cis-Cyclohexane-1,3-dicarboxylic acid dimethyl ester
    • 1,3-dimethyl cyclohexane-1,3-dicarboxylate
    • FT-0695749
    • SCHEMBL86929
    • 1,3-Cyclohexanedicarboxylic acid, dimethyl ester, cis-
    • 10021-92-8
    • 1,3-dimethyl trans-cyclohexane-1,3-dicarboxylate
    • Z902618520
    • dimethyl cyclohexane-1,3-dicarboxylate
    • SY107901
    • Inchi： 1S/C10H16O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h7-8H,3-6H2,1-2H3
    • InChI Key： BZUOYGUOKMUSPA-UHFFFAOYSA-N
    • SMILES： O(C)C(C1CCCC(C(=O)OC)C1)=O

Computed Properties

  • Exact Mass: 200.10488
  • Monoisotopic Mass: 200.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 202
  • 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: 1.3
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6

1,3-Cyclohexanedicarboxylicacid, dimethyl ester, (1R,3S)-rel- (9CI) Related Literature

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