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89612-30-6 | 1,2,4-Oxadiazole, 3-(2-methoxy-4,6-dimethylphenyl)-5-propyl-
CAS No: 89612-30-6 Catalog No: AG003X3K MDL No:
Product Description
Catalog Number:
AG003X3K
Chemical Name:
1,2,4-Oxadiazole, 3-(2-methoxy-4,6-dimethylphenyl)-5-propyl-
CAS Number:
89612-30-6
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
IUPAC Name:
3-(2-methoxy-4,6-dimethylphenyl)-5-propyl-1,2,4-oxadiazole
InChI:
InChI=1S/C14H18N2O2/c1-5-6-12-15-14(16-18-12)13-10(3)7-9(2)8-11(13)17-4/h7-8H,5-6H2,1-4H3
InChI Key:
CEDVWXJHNGHSQK-UHFFFAOYSA-N
SMILES:
CCCc1onc(n1)c1c(C)cc(cc1OC)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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