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2-ethyl-1H-imidazole-4-carboxylic acid hydrochloride

CAS No.:
2138379-11-8
Catalog Number:
AG01EK4V
Molecular Formula:
C6H9ClN2O2
Molecular Weight:
176.6009
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Product Description
Catalog Number:
AG01EK4V
Chemical Name:
2-ethyl-1H-imidazole-4-carboxylic acid hydrochloride
CAS Number:
2138379-11-8
Molecular Formula:
C6H9ClN2O2
Molecular Weight:
176.6009
MDL Number:
MFCD31559402
IUPAC Name:
2-ethyl-1H-imidazole-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C6H8N2O2.ClH/c1-2-5-7-3-4(8-5)6(9)10;/h3H,2H2,1H3,(H,7,8)(H,9,10);1H
InChI Key:
DKCWPQKIZWPFAS-UHFFFAOYSA-N
SMILES:
CCc1[nH]cc(n1)C(=O)O.Cl
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
176.6g/mol
Monoisotopic Mass:
176.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties