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89833-36-3 | 1H-1,2,4-Triazole, 1-[[2-(phenoxymethyl)-1,3-dioxolan-4-yl]methyl]-
CAS No: 89833-36-3 Catalog No: AG003Z2B MDL No:
Product Description
Catalog Number:
AG003Z2B
Chemical Name:
1H-1,2,4-Triazole, 1-[[2-(phenoxymethyl)-1,3-dioxolan-4-yl]methyl]-
CAS Number:
89833-36-3
Molecular Formula:
C13H15N3O3
Molecular Weight:
261.2765
IUPAC Name:
1-[[2-(phenoxymethyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
InChI:
InChI=1S/C13H15N3O3/c1-2-4-11(5-3-1)17-8-13-18-7-12(19-13)6-16-10-14-9-15-16/h1-5,9-10,12-13H,6-8H2
InChI Key:
AJMOKUANHHUCPZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OCC1OCC(O1)Cn1cncn1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.281g/mol
Monoisotopic Mass:
261.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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