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58686-70-7

58686-70-7 structural image
Product Name: M-TOLYL-PROPYNOIC ACID ETHYL ESTER
Formula: C12H12O2
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COMPUTED DESCRIPTORS

Molecular Weight 188.22 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 188.083729621 g/mol
Monoisotopic Mass 188.083729621 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 256
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