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68661-15-4

68661-15-4 structural image
Product Name: PHENYL(ACETIC ACID-2-13C)
Formula: C8H8O2
Synonyms: Phenylacetic acid-α-13C
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COMPUTED DESCRIPTORS

Molecular Weight 137.14 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 137.055784329 g/mol
Monoisotopic Mass 137.055784329 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 114
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