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1026444-42-7 | 1,3,4-Oxadiazole, 2-[1-methyl-1-(3-methylphenyl)ethyl]-
CAS No: 1026444-42-7 Catalog No: AG00080C MDL No:
Product Description
Catalog Number:
AG00080C
Chemical Name:
1,3,4-Oxadiazole, 2-[1-methyl-1-(3-methylphenyl)ethyl]-
CAS Number:
1026444-42-7
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
2-[2-(3-methylphenyl)propan-2-yl]-1,3,4-oxadiazole
InChI:
InChI=1S/C12H14N2O/c1-9-5-4-6-10(7-9)12(2,3)11-14-13-8-15-11/h4-8H,1-3H3
InChI Key:
ZJUQWUGXLMAYEK-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(c1nnco1)(C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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