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6929-40-4

6929-40-4 structural image
Product Name: B-PABA
Formula: C17H21N3O4S
Synonyms: B-PABA
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COMPUTED DESCRIPTORS

Molecular Weight 363.4 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 363.12527733 g/mol
Monoisotopic Mass 363.12527733 g/mol
Topological Polar Surface Area 133 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 522
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes