Home Other Building Blocks 3-tert-butyl-1,2,4-oxadiazol-5-ol

3-tert-butyl-1,2,4-oxadiazol-5-ol

CAS No.:
163619-95-2
Catalog Number:
AG01AGJK
Molecular Formula:
C6H10N2O2
Molecular Weight:
142.1558
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Product Description
Catalog Number:
AG01AGJK
Chemical Name:
3-tert-butyl-1,2,4-oxadiazol-5-ol
CAS Number:
163619-95-2
Molecular Formula:
C6H10N2O2
Molecular Weight:
142.1558
MDL Number:
MFCD18089446
IUPAC Name:
3-tert-butyl-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C6H10N2O2/c1-6(2,3)4-7-5(9)10-8-4/h1-3H3,(H,7,8,9)
InChI Key:
KPLBMUMCVZXMAC-UHFFFAOYSA-N
SMILES:
Oc1onc(n1)C(C)(C)C
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.074g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.158g/mol
Monoisotopic Mass:
142.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties