Home Carboxys methyl 5-oxo-1H,5H-imidazo[1,2-a]pyrimidine-6-carboxylate

methyl 5-oxo-1H,5H-imidazo[1,2-a]pyrimidine-6-carboxylate

CAS No.:
1018125-57-9
Catalog Number:
AG01B7AD
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
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Product Description
Catalog Number:
AG01B7AD
Chemical Name:
methyl 5-oxo-1H,5H-imidazo[1,2-a]pyrimidine-6-carboxylate
CAS Number:
1018125-57-9
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD09701857
IUPAC Name:
methyl 5-oxo-1H-imidazo[1,2-a]pyrimidine-6-carboxylate
InChI:
InChI=1S/C8H7N3O3/c1-14-7(13)5-4-10-8-9-2-3-11(8)6(5)12/h2-4H,1H3,(H,9,10)
InChI Key:
QQWJXJSMCZIQJD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2n(c1=O)cc[nH]2
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties