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179056-02-1

179056-02-1 structural image
Product Name: 3-(1-METHYL-1H-TETRAZOL-5-YL)BENZALDEHYDE
Formula: C9H8N4O
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COMPUTED DESCRIPTORS

Molecular Weight 188.19 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 188.06981089 g/mol
Monoisotopic Mass 188.06981089 g/mol
Topological Polar Surface Area 60.7 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 211
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