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93627-95-3

93627-95-3 structural image
Product Name: METHYL 4-METHOXY-[7-13C]-BENZOATE
Formula: C9H10O3
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COMPUTED DESCRIPTORS

Molecular Weight 167.17 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 167.06634901 g/mol
Monoisotopic Mass 167.06634901 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 148
Isotope Atom Count 1
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