Home Carboxys 7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid

7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid

CAS No.:
1020034-43-8
Catalog Number:
AG01C5ES
Molecular Formula:
C8H4N4O2
Molecular Weight:
188.1430
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Product Description
Catalog Number:
AG01C5ES
Chemical Name:
7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid
CAS Number:
1020034-43-8
Molecular Formula:
C8H4N4O2
Molecular Weight:
188.1430
MDL Number:
MFCD09994651
IUPAC Name:
7-cyanoimidazo[1,2-a]pyrimidine-3-carboxylic acid
InChI:
InChI=1S/C8H4N4O2/c9-3-5-1-2-12-6(7(13)14)4-10-8(12)11-5/h1-2,4H,(H,13,14)
InChI Key:
NNKZSDNFDKRHON-UHFFFAOYSA-N
SMILES:
N#Cc1ccn2c(n1)ncc2C(=O)O
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.146g/mol
Monoisotopic Mass:
188.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties