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1457-59-6 | 1H-Imidazole-5-carboxylic acid, 4-methyl-
CAS No: 1457-59-6 Catalog No: AG001DBV MDL No:MFCD12827531
Product Description
Catalog Number:
AG001DBV
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-methyl-
CAS Number:
1457-59-6
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD12827531
IUPAC Name:
5-methyl-1H-imidazole-4-carboxylic acid
InChI:
InChI=1S/C5H6N2O2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChI Key:
ULHLTDXPKWELHQ-UHFFFAOYSA-N
SMILES:
Cc1nc[nH]c1C(=O)O
EC Number:
215-944-0
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Complete and 'incomplete' [2 x 2] grids by self-assembly with a sterically hindered ditopic imidazole hydrazone ligand--structural and magnetic studies. | Dalton transactions (Cambridge, England : 2003) 20080721 |
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