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Home > Encyclopedia > 4,4-dimethylpent-1-yn-3-one

4,4-dimethylpent-1-yn-3-one

4,4-dimethylpent-1-yn-3-one structure

4,4-dimethylpent-1-yn-3-one 

structure
  • CAS No:

    5891-25-8

  • Formula:

    C7H10O

  • Chemical Name:

    4,4-dimethylpent-1-yn-3-one

  • Synonyms:

    4,4-dimethylpent-1-yn-3-one;Pent-4-yn-3-one, 2,2-dimethyl-;5891-25-8;4,4-Dimethyl-1-pentyne-3-one;4,4-Dimethyl-1-pentyn-3-one;tert-Butylethynyl ketone;SCHEMBL4161868;2,2-dimethyl-pent-4-yn-3-one;DTXSID40207657;4,4-Dimethyl-1-pentyn-3-one #;ZINC5350965;AKOS014915237

4,4-dimethylpent-1-yn-3-one Basic Attributes

110.15 g/mol

110.073164938 g/mol

DTXSID40207657

Characteristics

17.1 Ų

Safety Information

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:110.15
XLogP3:1.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:110.073164938
Monoisotopic Mass:110.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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