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88860-93-9 | 1-(1-(4-Methoxybenzyl);-1H-1,2,3-triazol-4-yl);ethanone
CAS No: 88860-93-9 Catalog No: AG004A4N MDL No:MFCD17014924
Product Description
Catalog Number:
AG004A4N
Chemical Name:
1-(1-(4-Methoxybenzyl);-1H-1,2,3-triazol-4-yl);ethanone
CAS Number:
88860-93-9
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD17014924
IUPAC Name:
1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]ethanone
InChI:
InChI=1S/C12H13N3O2/c1-9(16)12-8-15(14-13-12)7-10-3-5-11(17-2)6-4-10/h3-6,8H,7H2,1-2H3
InChI Key:
VHXPTFXKTYPGTA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1nnc(c1)C(=O)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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