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209912-45-8 | 1,2,4-Oxadiazole, 5-(4-methoxyphenyl)-3-methyl-
CAS No: 209912-45-8 Catalog No: AG002KGR MDL No:
Product Description
Catalog Number:
AG002KGR
Chemical Name:
1,2,4-Oxadiazole, 5-(4-methoxyphenyl)-3-methyl-
CAS Number:
209912-45-8
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
5-(4-methoxyphenyl)-3-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C10H10N2O2/c1-7-11-10(14-12-7)8-3-5-9(13-2)6-4-8/h3-6H,1-2H3
InChI Key:
DAAREJVHNMDCMK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1onc(n1)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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