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116570-12-8

116570-12-8 structural image
Product Name: 2-(1H-TETRAZOL-1-YL)BENZOIC ACID
Formula: C8H6N4O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 15.6 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 190.16 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 190.04907545 g/mol
Monoisotopic Mass 190.04907545 g/mol
Topological Polar Surface Area 80.9 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 223
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