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Home > Pyridines > 1461708-77-9
1461708-77-9 | 3-{[4-(diethoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}pyridine
CAS No: 1461708-77-9 Catalog No: AG01A675 MDL No:MFCD23201303
Product Description
Catalog Number:
AG01A675
Chemical Name:
3-{[4-(diethoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}pyridine
CAS Number:
1461708-77-9
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
MDL Number:
MFCD23201303
IUPAC Name:
3-[[4-(diethoxymethyl)triazol-1-yl]methyl]pyridine
InChI:
InChI=1S/C13H18N4O2/c1-3-18-13(19-4-2)12-10-17(16-15-12)9-11-6-5-7-14-8-11/h5-8,10,13H,3-4,9H2,1-2H3
InChI Key:
MTROAOVJUWKWNV-UHFFFAOYSA-N
SMILES:
CCOC(c1nnn(c1)Cc1cccnc1)OCC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.313g/mol
Monoisotopic Mass:
262.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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