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138723-98-5 | 1,3,4-Oxadiazole, 2-phenyl-5-propyl-
CAS No: 138723-98-5 Catalog No: AG0019FB MDL No:
Product Description
Catalog Number:
AG0019FB
Chemical Name:
1,3,4-Oxadiazole, 2-phenyl-5-propyl-
CAS Number:
138723-98-5
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
2-phenyl-5-propyl-1,3,4-oxadiazole
InChI:
InChI=1S/C11H12N2O/c1-2-6-10-12-13-11(14-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChI Key:
JIJYYIPXEQTHJK-UHFFFAOYSA-N
SMILES:
CCCc1nnc(o1)c1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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