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94461-44-6

94461-44-6 structural image
Product Name: Di-(tert-butyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Formula: C16H25NO4
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 295.37 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 295.17835828 g/mol
Monoisotopic Mass 295.17835828 g/mol
Topological Polar Surface Area 68.4 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 406
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes