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149324-24-3 | 1,3,4-Oxadiazole, 2-(1-methylethyl)-
CAS No: 149324-24-3 Catalog No: AG001LKQ MDL No:MFCD16877051
Product Description
Catalog Number:
AG001LKQ
Chemical Name:
1,3,4-Oxadiazole, 2-(1-methylethyl)-
CAS Number:
149324-24-3
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD16877051
IUPAC Name:
2-propan-2-yl-1,3,4-oxadiazole
InChI:
InChI=1S/C5H8N2O/c1-4(2)5-7-6-3-8-5/h3-4H,1-2H3
InChI Key:
IYKCETRGBFKTRU-UHFFFAOYSA-N
SMILES:
CC(c1ocnn1)C
Properties
Complexity:
74.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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