Cas no 104613-82-3 (2-Pentenal,2,3-dimethyl-4-oxo-, (Z)- (9CI))

2-Pentenal,2,3-dimethyl-4-oxo-, (Z)- (9CI) structure
104613-82-3 structure
Product Name:2-Pentenal,2,3-dimethyl-4-oxo-, (Z)- (9CI)
CAS No:104613-82-3
MF:C7H10O2
MW:126.153102397919
CID:126304
PubChem ID:20671370
Update Time:2025-04-18

2-Pentenal,2,3-dimethyl-4-oxo-, (Z)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Pentenal,2,3-dimethyl-4-oxo-, (Z)- (9CI)
    • 2-Pentenal, 2,3-dimethyl-4-oxo-, (Z)- (9CI)
    • 104613-82-3
    • 2-Pentenal,2,3-dimethyl-4-oxo-,(Z)-(9ci)
    • (Z)-2,3-Dimethyl-4-oxopent-2-enal
    • Inchi： 1S/C7H10O2/c1-5(4-8)6(2)7(3)9/h4H,1-3H3/b6-5-
    • InChI Key： JOIPXRIQHWMPFU-WAYWQWQTSA-N
    • SMILES： O=C(C)/C(/C)=C(\C=O)/C

Computed Properties

  • Exact Mass: 126.0681
  • Monoisotopic Mass: 126.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 166
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

2-Pentenal,2,3-dimethyl-4-oxo-, (Z)- (9CI) Related Literature

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