Home Carboxys 8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxylic acid

8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxylic acid

CAS No.:
1891207-98-9
Catalog Number:
AG01CA5F
Molecular Formula:
C7H5N3O3
Molecular Weight:
179.1329
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Product Description
Catalog Number:
AG01CA5F
Chemical Name:
8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxylic acid
CAS Number:
1891207-98-9
Molecular Formula:
C7H5N3O3
Molecular Weight:
179.1329
MDL Number:
MFCD31456942
IUPAC Name:
8-oxo-7H-imidazo[1,2-a]pyrazine-2-carboxylic acid
InChI:
InChI=1S/C7H5N3O3/c11-6-5-9-4(7(12)13)3-10(5)2-1-8-6/h1-3H,(H,8,11)(H,12,13)
InChI Key:
QQMLZKFKSUKHPF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn2c(n1)c(=O)[nH]cc2
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.135g/mol
Monoisotopic Mass:
179.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties