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81386-30-3 | 5-Methyl-3-(p-tolyl);-1,2,4-oxadiazole
CAS No: 81386-30-3 Catalog No: AG003MVH MDL No:MFCD00085801
Product Description
Catalog Number:
AG003MVH
Chemical Name:
5-Methyl-3-(p-tolyl);-1,2,4-oxadiazole
CAS Number:
81386-30-3
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD00085801
IUPAC Name:
5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C10H10N2O/c1-7-3-5-9(6-4-7)10-11-8(2)13-12-10/h3-6H,1-2H3
InChI Key:
OYGSEQYNSZOSCE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(n1)C
NSC Number:
113488
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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