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252253-32-0 | 1,3,4-Oxadiazole, 2-(1-methyl-1-phenylethyl)-
CAS No: 252253-32-0 Catalog No: AG002QZ4 MDL No:
Product Description
Catalog Number:
AG002QZ4
Chemical Name:
1,3,4-Oxadiazole, 2-(1-methyl-1-phenylethyl)-
CAS Number:
252253-32-0
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
2-(2-phenylpropan-2-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C11H12N2O/c1-11(2,10-13-12-8-14-10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
IXXIAIHMNPBWFL-UHFFFAOYSA-N
SMILES:
CC(c1nnco1)(c1ccccc1)C
Properties
Complexity:
188
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:
2.6
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