Ethanone, 1-[5-methyl-1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]-


Chemical Name: Ethanone, 1-[5-methyl-1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]-
CAS Number: 133992-60-6
Product Number: AG007150(AGN-PC-0KKQC5)
Synonyms:
MDL No:
Molecular Formula: C12H13N3O
Molecular Weight: 215.2511

Identification/Properties


Computed Properties
Molecular Weight:
215.256g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
215.106g/mol
Monoisotopic Mass:
215.106g/mol
Topological Polar Surface Area:
47.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
251
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

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NMR Spectrum


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