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887029-70-1

887029-70-1 structural image
Product Name: 2-[2-(SEC-BUTYL)PHENOXY]PROPANOIC ACID
Formula: C13H18O3
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COMPUTED DESCRIPTORS

Molecular Weight 222.28 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 222.125594432 g/mol
Monoisotopic Mass 222.125594432 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 227
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes