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141234-27-7 | Imidazo[1,2-a]pyrimidine-6-carboxylic acid, 1,2,3,5-tetrahydro-1-methyl-5-oxo-2-phenyl-
CAS No: 141234-27-7 Catalog No: AG001G4D MDL No:
Product Description
Catalog Number:
AG001G4D
Chemical Name:
Imidazo[1,2-a]pyrimidine-6-carboxylic acid, 1,2,3,5-tetrahydro-1-methyl-5-oxo-2-phenyl-
CAS Number:
141234-27-7
Molecular Formula:
C14H13N3O3
Molecular Weight:
271.2713
IUPAC Name:
1-methyl-5-oxo-2-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C14H13N3O3/c1-16-11(9-5-3-2-4-6-9)8-17-12(18)10(13(19)20)7-15-14(16)17/h2-7,11H,8H2,1H3,(H,19,20)
InChI Key:
FMVGIYVVJVBLRK-UHFFFAOYSA-N
SMILES:
CN1C(Cn2c1ncc(c2=O)C(=O)O)c1ccccc1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.276g/mol
Monoisotopic Mass:
271.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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