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1198-98-7 | 1,2,4-Oxadiazole, 5-methyl-3-phenyl-
CAS No: 1198-98-7 Catalog No: AG000POI MDL No:MFCD00085133
Product Description
Catalog Number:
AG000POI
Chemical Name:
1,2,4-Oxadiazole, 5-methyl-3-phenyl-
CAS Number:
1198-98-7
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD00085133
IUPAC Name:
5-methyl-3-phenyl-1,2,4-oxadiazole
InChI:
InChI=1S/C9H8N2O/c1-7-10-9(11-12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
VRRLZUXQTZOCKJ-UHFFFAOYSA-N
SMILES:
Cc1onc(n1)c1ccccc1
NSC Number:
167113
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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