Home Other Building Blocks 3-(tert-butoxy)-2-(1H-pyrazol-1-yl)cyclobutan-1-one

3-(tert-butoxy)-2-(1H-pyrazol-1-yl)cyclobutan-1-one

CAS No.:
1864063-42-2
Catalog Number:
AG01AUEE
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
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Product Description
Catalog Number:
AG01AUEE
Chemical Name:
3-(tert-butoxy)-2-(1H-pyrazol-1-yl)cyclobutan-1-one
CAS Number:
1864063-42-2
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD29041098
IUPAC Name:
3-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylcyclobutan-1-one
InChI:
InChI=1S/C11H16N2O2/c1-11(2,3)15-9-7-8(14)10(9)13-6-4-5-12-13/h4-6,9-10H,7H2,1-3H3
InChI Key:
QBWQIUMDPCIVHH-UHFFFAOYSA-N
SMILES:
O=C1CC(C1n1cccn1)OC(C)(C)C
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties