Cas no 78685-51-5 (methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate)

methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate structure
78685-51-5 structure
Product Name:methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate
CAS No:78685-51-5
MF:C8H12O3
MW:156.179082870483
MDL:MFCD21332873
CID:2136571
PubChem ID:12714144
Update Time:2025-04-21

methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 2,2-dimethyl-3-oxocyclobutanecarboxylate
    • methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate
    • Cyclobutanecarboxylic acid, 2,2-dimethyl-3-oxo-, methyl ester
    • GYEUKBYFWMJNSM-UHFFFAOYSA-N
    • FCH1609346
    • PB31192
    • AK171593
    • CS-0049193
    • AKOS025291194
    • EN300-1664924
    • METHYL2,2-DIMETHYL-3-OXOCYCLOBUTANECARBOXYLATE
    • P12907
    • SCHEMBL15549635
    • AS-51541
    • MFCD21332873
    • DA-33090
    • 78685-51-5
    • DDA68551
    • 873-841-1
    • MDL： MFCD21332873
    • Inchi： 1S/C8H12O3/c1-8(2)5(4-6(8)9)7(10)11-3/h5H,4H2,1-3H3
    • InChI Key： GYEUKBYFWMJNSM-UHFFFAOYSA-N
    • SMILES： O=C1CC(C(=O)OC)C1(C)C

Computed Properties

  • Exact Mass: 156.078644241g/mol
  • Monoisotopic Mass: 156.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 205
  • 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
  • Topological Polar Surface Area: 43.4
  • XLogP3: 0.5

methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate Pricemore >>

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