Cas no 4027-18-3 (2-Butenoic acid,4-oxo-4-[(tributylstannyl)oxy]-, (2Z)-)

2-Butenoic acid,4-oxo-4-[(tributylstannyl)oxy]-, (2Z)- structure
4027-18-3 structure
Product Name:2-Butenoic acid,4-oxo-4-[(tributylstannyl)oxy]-, (2Z)-
CAS No:4027-18-3
MF:C16H30O4Sn
MW:405.117004871368
CID:332306
Update Time:2024-01-28

2-Butenoic acid,4-oxo-4-[(tributylstannyl)oxy]-, (2Z)- Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,4-oxo-4-[(tributylstannyl)oxy]-, (2Z)-
    • (E)-4-oxo-4-tributylstannyloxybut-2-enoic acid
    • 2-Butenoic acid, 4-oxo-4-((tributylstannyl)oxy)-, (2Z)-
    • 4-Oxo-4-((tributylstannyl)oxy)but-2-enoic acid
    • tributylstannanyl - (2E)-but-2-enedioic acid (1:1)
    • 4-oxo-4-[(tributylstannyl)oxy]but-2-enoic acid
    • 2-Butenoic acid, 4-oxo-4-(tributylstannyl)oxy-, (2Z)-
    • 4-oxo[(tributylstanyl)oxy]-2-Butenoic acid
    • 4-Oxo-4-[(tributylstannyl)oxy]-2-butenoic acid
    • Einecs 223-701-5
    • Inchi： 1S/C4H4O4.3C4H9.Sn/c5-3(6)1-2-4(7)8;3*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1/b2-1-;;;;
    • InChI Key： OWPROSQENMJLFR-SQDRRJMKSA-M
    • SMILES： C(O)(=O)/C=C\C(=O)O[Sn](CCCC)(CCCC)CCCC

Computed Properties

  • Exact Mass: 398.1195
  • Monoisotopic Mass: 406.116606
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 13
  • Complexity: 317
  • 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
  • Topological Polar Surface Area: 63.6

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 63.6
  • pka: 2.48±0.25(Predicted)

2-Butenoic acid,4-oxo-4-[(tributylstannyl)oxy]-, (2Z)- Related Literature

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