Cas no 104923-45-7 (2,6-Heptadienoyl chloride, 3,6-dimethyl-, (Z)-)

2,6-Heptadienoyl chloride, 3,6-dimethyl-, (Z)- structure
104923-45-7 structure
Product Name:2,6-Heptadienoyl chloride, 3,6-dimethyl-, (Z)-
CAS No:104923-45-7
MF:C9H13ClO
MW:172.651921987534
CID:1149767
Update Time:2024-07-27

2,6-Heptadienoyl chloride, 3,6-dimethyl-, (Z)- Chemical and Physical Properties

Names and Identifiers

    • 2,6-Heptadienoyl chloride, 3,6-dimethyl-, (Z)-
    • 2,6-Heptadienoyl chloride, 3,6-dimethyl-, (Z)- (9CI)
    • Inchi: 1S/C9H13ClO/c1-7(2)4-5-8(3)6-9(10)11/h6H,1,4-5H2,2-3H3/b8-6-
    • InChI Key: HDDQQTNVPGNQHH-VURMDHGXSA-N
    • SMILES: C(Cl)(=O)/C=C(/C)\CCC(C)=C

Computed Properties

  • Exact Mass: 172.06559

Experimental Properties

  • Density: 0.992±0.06 g/cm3(Predicted)
  • Boiling Point: 238.8±19.0 °C(Predicted)
  • PSA: 17.07

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