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918300-60-4 | 1H-1,2,3-Triazole, 5-(3,4,5-trimethoxyphenyl)-
CAS No: 918300-60-4 Catalog No: AG006GI4 MDL No:
Product Description
Catalog Number:
AG006GI4
Chemical Name:
1H-1,2,3-Triazole, 5-(3,4,5-trimethoxyphenyl)-
CAS Number:
918300-60-4
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
IUPAC Name:
4-(3,4,5-trimethoxyphenyl)-2H-triazole
InChI:
InChI=1S/C11H13N3O3/c1-15-9-4-7(8-6-12-14-13-8)5-10(16-2)11(9)17-3/h4-6H,1-3H3,(H,12,13,14)
InChI Key:
VMKLGRBWBREIOQ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1cnn[nH]1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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