Cas no 57539-96-5 (2-Pentenoic acid, 4,4-dimethyl-, methyl ester, (Z)-)

2-Pentenoic acid, 4,4-dimethyl-, methyl ester, (Z)- structure
57539-96-5 structure
Product Name:2-Pentenoic acid, 4,4-dimethyl-, methyl ester, (Z)-
CAS No:57539-96-5
MF:C8H14O2
MW:142.195562839508
CID:345001
Update Time:2024-01-28

2-Pentenoic acid, 4,4-dimethyl-, methyl ester, (Z)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pentenoic acid, 4,4-dimethyl-, methyl ester, (Z)-
    • 2-Pentenoic acid, 4,4-dimethyl-, methyl ester, (Z)- (9CI)
    • Inchi: 1S/C8H14O2/c1-8(2,3)6-5-7(9)10-4/h5-6H,1-4H3/b6-5-
    • InChI Key: QXLWRINPDMKVHW-WAYWQWQTSA-N
    • SMILES: C(OC)(=O)/C=C\C(C)(C)C

Computed Properties

  • Exact Mass: 142.09942

Experimental Properties

  • Density: 0.901±0.06 g/cm3(Predicted)
  • Boiling Point: 160.3±9.0 °C(Predicted)
  • PSA: 26.3
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