Cas no 404952-79-0 (Cyclopropanecarboxylicacid, 2,2-dimethylpropyl ester)

Cyclopropanecarboxylicacid, 2,2-dimethylpropyl ester structure
404952-79-0 structure
Product Name:Cyclopropanecarboxylicacid, 2,2-dimethylpropyl ester
CAS No:404952-79-0
MF:C9H16O2
MW:156.222143173218
CID:326023
PubChem ID:45090227
Update Time:2025-04-19

Cyclopropanecarboxylicacid, 2,2-dimethylpropyl ester Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanecarboxylicacid, 2,2-dimethylpropyl ester
    • 2,2-dimethylpropyl cyclopropanecarboxylate
    • Cyclopropanecarboxylic acid, 2,2-dimethylpropyl ester (9CI)
    • DTXSID40666588
    • 404952-79-0
    • SCHEMBL6141219
    • Cyclopropanecarboxylic acid, 2,2-dimethylpropyl ester
    • Inchi: 1S/C9H16O2/c1-9(2,3)6-11-8(10)7-4-5-7/h7H,4-6H2,1-3H3
    • InChI Key: XQMJIKMKMVSGHD-UHFFFAOYSA-N
    • SMILES: O(CC(C)(C)C)C(C1CC1)=O

Computed Properties

  • Exact Mass: 156.115029749g/mol
  • Monoisotopic Mass: 156.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 151
  • 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: 2.3
  • Topological Polar Surface Area: 26.3?2
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