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Home > Encyclopedia > 2,2,4,6,6-pentamethylheptane-3,5-dione

2,2,4,6,6-pentamethylheptane-3,5-dione

2,2,4,6,6-pentamethylheptane-3,5-dione structure

2,2,4,6,6-pentamethylheptane-3,5-dione 

structure
  • CAS No:

    5467-42-5

  • Formula:

    C12H22O2

  • Chemical Name:

    2,2,4,6,6-pentamethylheptane-3,5-dione

  • Synonyms:

    2,2,4,6,6-pentamethylheptane-3,5-dione;5467-42-5;2,2,4,6,6-Pentamethyl-3,5-heptanedione;NSC28031;SCHEMBL1397144;DTXSID50282798;ZINC1646243;NSC-28031;AKOS024339839;MCULE-2690712680;2,2,4,6,6-Pentamethyl-3,5-heptanedione #;3,5-Heptanedione, 2,2,4,6,6-pentamethyl-

2,2,4,6,6-pentamethylheptane-3,5-dione Basic Attributes

198.30 g/mol

198.161979940 g/mol

28031

DTXSID50282798

Characteristics

34.1 Ų

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:198.30
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:198.161979940
Monoisotopic Mass:198.161979940
Topological Polar Surface Area:34.1
Heavy Atom Count:14
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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