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53623-59-9

53623-59-9 structural image
Product Name: MONOSEC-BUTYLPHTHALATE
Formula: C12H14O4
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COMPUTED DESCRIPTORS

Molecular Weight 222.24 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 222.08920892 g/mol
Monoisotopic Mass 222.08920892 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 262
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes