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18498-59-4

18498-59-4 structural image
Product Name: PENT-4-YNAL (IN DCM 30% W/W)
Formula: C5H6O
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COMPUTED DESCRIPTORS

Molecular Weight 82.10 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 82.041864811 g/mol
Monoisotopic Mass 82.041864811 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 75.2
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