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114065-31-5 | 1,2,4-Oxadiazole, 5-(1-methylethyl)-3-phenyl-
CAS No: 114065-31-5 Catalog No: AG000AG8 MDL No:
Product Description
Catalog Number:
AG000AG8
Chemical Name:
1,2,4-Oxadiazole, 5-(1-methylethyl)-3-phenyl-
CAS Number:
114065-31-5
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
3-phenyl-5-propan-2-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C11H12N2O/c1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
LJQVRBYODUPFNI-UHFFFAOYSA-N
SMILES:
CC(c1onc(n1)c1ccccc1)C
Properties
Complexity:
178
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:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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