Cas no 3876-52-6 (2-Pentenoic acid, 2,4-dimethyl-, (E)-)

2-Pentenoic acid, 2,4-dimethyl-, (E)- structure
3876-52-6 structure
Product Name:2-Pentenoic acid, 2,4-dimethyl-, (E)-
CAS No:3876-52-6
MF:C7H12O2
MW:128.168982505798
CID:1491274
PubChem ID:5362565
Update Time:2025-04-21

2-Pentenoic acid, 2,4-dimethyl-, (E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pentenoic acid, 2,4-dimethyl-, (E)-
    • LMFA01030964
    • SCHEMBL21714
    • (E)-2,4-dimethylpent-2-enoic acid
    • 3876-52-6
    • A918274
    • DMHLGGQHOSTMJG-GQCTYLIASA-N
    • DTXSID60192036
    • FEMA 3143
    • Q27282257
    • (E)-2,4-dimethylpent-2-enoicacid
    • KI18C46DHR
    • FEMA No. 3143, 2E-
    • 2-Pentenoic acid, 2,4-dimethyl-, (2E)-
    • YSD821326P
    • CS-0161528
    • 2,4-Dimethyl-2-pentenoic acid, AldrichCPR
    • UNII-YSD821326P
    • (E)-2,4-Dimethyl-2-pentenoyl chloride
    • (2E)-2,4-DIMETHYLPENT-2-ENOIC ACID
    • UNII-KI18C46DHR
    • (E)-2,4-Dimethyl-2-pentenoic acid
    • AKOS006222120
    • (2E)-2,4-dimethyl-2-pentenoic acid
    • 2,4-Dimethyl-2-pentenoic acid, (2E)-
    • SCHEMBL21716
    • MDL: MFCD00209505
    • Inchi: 1S/C7H12O2/c1-5(2)4-6(3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+
    • InChI Key: DMHLGGQHOSTMJG-GQCTYLIASA-N
    • SMILES: CC(/C=C(/C(=O)O)\C)C

Computed Properties

  • Exact Mass: 128.083729621g/mol
  • Monoisotopic Mass: 128.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 134
  • 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: 1.7
  • Topological Polar Surface Area: 37.3?2
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