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Home > Imidazoles > 1197911-98-0
1197911-98-0 | 3-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzoic acid
CAS No: 1197911-98-0 Catalog No: AG01EKAW MDL No:MFCD12913171
Product Description
Catalog Number:
AG01EKAW
Chemical Name:
3-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzoic acid
CAS Number:
1197911-98-0
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD12913171
IUPAC Name:
3-(4-methyl-2-oxo-1H-imidazol-3-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O3/c1-7-6-12-11(16)13(7)9-4-2-3-8(5-9)10(14)15/h2-6H,1H3,(H,12,16)(H,14,15)
InChI Key:
MIMARCAQTONORI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)n1c(C)c[nH]c1=O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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