Cas no 199446-36-1 (ethyl 3-(cyclopropanecarbonyloxy)-5-oxocyclohex-3-ene-1-carboxylate)

ethyl 3-(cyclopropanecarbonyloxy)-5-oxocyclohex-3-ene-1-carboxylate structure
199446-36-1 structure
Product Name:ethyl 3-(cyclopropanecarbonyloxy)-5-oxocyclohex-3-ene-1-carboxylate
CAS No:199446-36-1
MF:C13H16O5
MW:252.263144493103
CID:1389437
PubChem ID:44312699
Update Time:2025-04-20

ethyl 3-(cyclopropanecarbonyloxy)-5-oxocyclohex-3-ene-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 3-Cyclohexene-1-carboxylic acid, 3-[(cyclopropylcarbonyl)oxy]-5-oxo-,ethyl ester
    • ethyl 3-(cyclopropanecarbonyloxy)-5-oxocyclohex-3-ene-1-carboxylate
    • LTAQEJVORRDKTA-UHFFFAOYSA-N
    • 199446-36-1
    • ethyl3-(cyclopropanecarbonyloxy)-5-oxocyclohex-3-ene-1-carboxylate
    • BDBM50403928
    • EN300-27749120
    • CHEMBL307048
    • Inchi: 1S/C13H16O5/c1-2-17-12(15)9-5-10(14)7-11(6-9)18-13(16)8-3-4-8/h7-9H,2-6H2,1H3
    • InChI Key: LTAQEJVORRDKTA-UHFFFAOYSA-N
    • SMILES: O(C1=CC(CC(C(=O)OCC)C1)=O)C(C1CC1)=O

Computed Properties

  • Exact Mass: 252.09978
  • Monoisotopic Mass: 252.09977361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 406
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 69.7?2

Experimental Properties

  • PSA: 69.67

ethyl 3-(cyclopropanecarbonyloxy)-5-oxocyclohex-3-ene-1-carboxylate Pricemore >>

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