Home Carboxys 1-[(tert-butoxy)carbonyl]-1H,2H,3H-pyrazolo[1,5-a]imidazole-7-carboxylic acid

1-[(tert-butoxy)carbonyl]-1H,2H,3H-pyrazolo[1,5-a]imidazole-7-carboxylic acid

CAS No.:
2138390-34-6
Catalog Number:
AG01EKQF
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
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Product Description
Catalog Number:
AG01EKQF
Chemical Name:
1-[(tert-butoxy)carbonyl]-1H,2H,3H-pyrazolo[1,5-a]imidazole-7-carboxylic acid
CAS Number:
2138390-34-6
Molecular Formula:
C11H15N3O4
Molecular Weight:
253.2545
MDL Number:
MFCD31558752
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylic acid
InChI:
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)13-4-5-14-8(13)7(6-12-14)9(15)16/h6H,4-5H2,1-3H3,(H,15,16)
InChI Key:
XLIBKMQRIFTWKB-UHFFFAOYSA-N
SMILES:
O=C(N1CCn2c1c(cn2)C(=O)O)OC(C)(C)C
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.106g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.258g/mol
Monoisotopic Mass:
253.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties