Cas no 6947-07-5 (Cyclohexanecarboxylicacid, 1-hydroxy-, propyl ester)

Cyclohexanecarboxylicacid, 1-hydroxy-, propyl ester structure
6947-07-5 structure
Product Name:Cyclohexanecarboxylicacid, 1-hydroxy-, propyl ester
CAS No:6947-07-5
MF:C10H18O3
MW:186.248123645782
CID:525464
PubChem ID:245436
Update Time:2025-04-19

Cyclohexanecarboxylicacid, 1-hydroxy-, propyl ester Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylicacid, 1-hydroxy-, propyl ester
    • propyl 1-hydroxycyclohexanecarboxylate; NSC57396; AC1L6FVE; AC1Q66MO; CTK5D0050; AR-1L2354; NSC 57396; NSC-57396; AG-J-08485;
    • 6947-07-5
    • NSC57396
    • DTXSID40288724
    • propyl 1-hydroxycyclohexanecarboxylate
    • NSC-57396
    • Inchi: 1S/C10H18O3/c1-2-8-13-9(11)10(12)6-4-3-5-7-10/h12H,2-8H2,1H3
    • InChI Key: NGVNZVCESYXGTF-UHFFFAOYSA-N
    • SMILES: OC1(C(=O)OCCC)CCCCC1

Computed Properties

  • Exact Mass: 186.12564
  • Monoisotopic Mass: 186.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 171
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
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