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898758-98-0

898758-98-0 structural image
Product Name: 2-(5-OXOHEXANOYL)OXAZOLE
Formula: C9H11NO3
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COMPUTED DESCRIPTORS

Molecular Weight 181.19 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 181.07389321 g/mol
Monoisotopic Mass 181.07389321 g/mol
Topological Polar Surface Area 60.2 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 203
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