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87944-75-0

87944-75-0 | 1,2,4-Oxadiazole, 5-methyl-3-(3-methylphenyl)-

CAS No: 87944-75-0 Catalog No: AG004D5L MDL No:

Product Description

Catalog Number:
AG004D5L
Chemical Name:
1,2,4-Oxadiazole, 5-methyl-3-(3-methylphenyl)-
CAS Number:
87944-75-0
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
5-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C10H10N2O/c1-7-4-3-5-9(6-7)10-11-8(2)13-12-10/h3-6H,1-2H3
InChI Key:
DFUKNZYWDNICNG-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1noc(n1)C

Properties

Complexity:
174  
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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