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1457-58-5 | 1H-Imidazole-5-carboxylic acid, 2-methyl-
CAS No: 1457-58-5 Catalog No: AG001DBW MDL No:MFCD00234110
Product Description
Catalog Number:
AG001DBW
Chemical Name:
1H-Imidazole-5-carboxylic acid, 2-methyl-
CAS Number:
1457-58-5
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD00234110
IUPAC Name:
2-methyl-1H-imidazole-5-carboxylic acid
InChI:
InChI=1S/C5H6N2O2/c1-3-6-2-4(7-3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChI Key:
DTUIYOVMTFYCBZ-UHFFFAOYSA-N
SMILES:
Cc1ncc([nH]1)C(=O)O
EC Number:
215-943-5
NSC Number:
109147
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
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