Home Carboxys 3-cyanopyrazolo[1,5-a]pyrimidine-6-carboxylic acid

3-cyanopyrazolo[1,5-a]pyrimidine-6-carboxylic acid

CAS No.:
1558138-88-7
Catalog Number:
AG01DVO1
Molecular Formula:
C8H4N4O2
Molecular Weight:
188.1430
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Product Description
Catalog Number:
AG01DVO1
Chemical Name:
3-cyanopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CAS Number:
1558138-88-7
Molecular Formula:
C8H4N4O2
Molecular Weight:
188.1430
MDL Number:
MFCD28606060
IUPAC Name:
3-cyanopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C8H4N4O2/c9-1-5-3-11-12-4-6(8(13)14)2-10-7(5)12/h2-4H,(H,13,14)
InChI Key:
AYSXXJSJRSRZQO-UHFFFAOYSA-N
SMILES:
N#Cc1cnn2c1ncc(c2)C(=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:
-0.4  
Properties