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Home > Imidazoles > 1297344-68-3
1297344-68-3 | (2Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid hydrochloride, Z
CAS No: 1297344-68-3 Catalog No: AG01DYN9 MDL No:
Product Description
Catalog Number:
AG01DYN9
Chemical Name:
(2Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid hydrochloride, Z
CAS Number:
1297344-68-3
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
IUPAC Name:
(Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid;hydrochloride
InChI:
InChI=1S/C6H6N2O2.ClH/c9-6(10)2-1-5-7-3-4-8-5;/h1-4H,(H,7,8)(H,9,10);1H/b2-1-;
InChI Key:
ZKYURINWZYDTFA-ODZAUARKSA-N
SMILES:
OC(=O)/C=C\c1ncc[nH]1.Cl
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors. | European journal of medicinal chemistry 20110501 |
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