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20485-43-2

20485-43-2 | 1H-Imidazole-2-carboxylic acid, 1-methyl-

CAS No: 20485-43-2 Catalog No: AG0029QA MDL No:MFCD01863421

Product Description

Catalog Number:
AG0029QA
Chemical Name:
1H-Imidazole-2-carboxylic acid, 1-methyl-
CAS Number:
20485-43-2
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD01863421
IUPAC Name:
1-methylimidazole-2-carboxylic acid
InChI:
InChI=1S/C5H6N2O2/c1-7-3-2-6-4(7)5(8)9/h2-3H,1H3,(H,8,9)
InChI Key:
WLDPWZQYAVZTTP-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccn1C

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:
1  
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

Literature

Title Journal
Cytotoxic and antimicrobial activities of Cu(II), Co(II), Pt(II) and Zn(II) Complexes with N,O-chelating heterocyclic carboxylates. Archiv der Pharmazie 20110901

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