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2059999-86-7 | 3-methyl-2-oxo-1-[(pyridin-4-yl)methyl]-2,3-dihydro-1H-imidazole-4-carboxylic acid
CAS No: 2059999-86-7 Catalog No: AG01BPRP MDL No:MFCD30500555
Product Description
Catalog Number:
AG01BPRP
Chemical Name:
3-methyl-2-oxo-1-[(pyridin-4-yl)methyl]-2,3-dihydro-1H-imidazole-4-carboxylic acid
CAS Number:
2059999-86-7
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
MDL Number:
MFCD30500555
IUPAC Name:
3-methyl-2-oxo-1-(pyridin-4-ylmethyl)imidazole-4-carboxylic acid
InChI:
InChI=1S/C11H11N3O3/c1-13-9(10(15)16)7-14(11(13)17)6-8-2-4-12-5-3-8/h2-5,7H,6H2,1H3,(H,15,16)
InChI Key:
QAGJBYQQLIITDM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(c(=O)n1C)Cc1ccncc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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