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182295-26-7 | 1,2,4-Oxadiazole, 3-(4-methylphenyl)-5-propyl-
CAS No: 182295-26-7 Catalog No: AG0023L6 MDL No:MFCD02634497
Product Description
Catalog Number:
AG0023L6
Chemical Name:
1,2,4-Oxadiazole, 3-(4-methylphenyl)-5-propyl-
CAS Number:
182295-26-7
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD02634497
IUPAC Name:
3-(4-methylphenyl)-5-propyl-1,2,4-oxadiazole
InChI:
InChI=1S/C12H14N2O/c1-3-4-11-13-12(14-15-11)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
InChI Key:
AKMOYSDZOWQHDU-UHFFFAOYSA-N
SMILES:
CCCc1onc(n1)c1ccc(cc1)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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