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16042-25-4 | 2-Imidazolecarboxylic acid
CAS No: 16042-25-4 Catalog No: AG0032RT MDL No:MFCD00270816
Product Description
Catalog Number:
AG0032RT
Chemical Name:
2-Imidazolecarboxylic acid
CAS Number:
16042-25-4
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
MDL Number:
MFCD00270816
IUPAC Name:
1H-imidazole-2-carboxylic acid
InChI:
InChI=1S/C4H4N2O2/c7-4(8)3-5-1-2-6-3/h1-2H,(H,5,6)(H,7,8)
InChI Key:
KYWMCFOWDYFYLV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc[nH]1
UNII:
O9G6515VC1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
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