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1227380-90-6

1227380-90-6 | 2-Pyridinecarboxylic acid, 1,4-dihydro-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-4-oxo-

CAS No: 1227380-90-6 Catalog No: AG000J8F MDL No:

Product Description

Catalog Number:
AG000J8F
Chemical Name:
2-Pyridinecarboxylic acid, 1,4-dihydro-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-4-oxo-
CAS Number:
1227380-90-6
Molecular Formula:
C16H15N3O4
Molecular Weight:
313.3080
IUPAC Name:
1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-4-oxopyridine-2-carboxylic acid
InChI:
InChI=1S/C16H15N3O4/c1-8-7-19(13(15(21)22)9(2)14(8)20)16-17-11-5-4-10(23-3)6-12(11)18-16/h4-7H,1-3H3,(H,17,18)(H,21,22)
InChI Key:
CDVIAIZPAAQCEE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(n2)n1cc(C)c(=O)c(c1C(=O)O)C

Properties

Complexity:
598  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.106g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
313.313g/mol
Monoisotopic Mass:
313.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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