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102625-27-4 | 1H-Imidazole-5-carboxylic acid, 2-(1-methylethyl)-
CAS No: 102625-27-4 Catalog No: AG0007YO MDL No:
Product Description
Catalog Number:
AG0007YO
Chemical Name:
1H-Imidazole-5-carboxylic acid, 2-(1-methylethyl)-
CAS Number:
102625-27-4
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
IUPAC Name:
2-propan-2-yl-1H-imidazole-5-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-4(2)6-8-3-5(9-6)7(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChI Key:
NSDNJRNFDRCNFL-UHFFFAOYSA-N
SMILES:
CC(c1ncc([nH]1)C(=O)O)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Ring-substituted imidazoles as a new class of anti-tuberculosis agents. | European journal of medicinal chemistry 20040901 |
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