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

3-methylimidazo[1,2-a]pyrimidine-2-carboxylic acid

CAS No.:
1909318-68-8
Catalog Number:
AG00J3EU
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
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Product Description
Catalog Number:
AG00J3EU
Chemical Name:
3-methylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CAS Number:
1909318-68-8
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD29127446
IUPAC Name:
3-methylimidazo[1,2-a]pyrimidine-2-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c1-5-6(7(12)13)10-8-9-3-2-4-11(5)8/h2-4H,1H3,(H,12,13)
InChI Key:
SBBRLLGSQUCNJO-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2n(c1C)cccn2
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties