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175205-90-0

175205-90-0 structural image
Product Name: METHYL 4-ACETYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE
Formula: C10H13NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >29.3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 195.21 g/mol
XLogP3 1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 195.08954328 g/mol
Monoisotopic Mass 195.08954328 g/mol
Topological Polar Surface Area 59.2 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 252
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