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Home > Imidazoles > 1955564-32-5
1955564-32-5 | 3-(1-methyl-1H-imidazol-5-yl)prop-2-enoic acid hydrochloride
CAS No: 1955564-32-5 Catalog No: AG01C423 MDL No:
Product Description
Catalog Number:
AG01C423
Chemical Name:
3-(1-methyl-1H-imidazol-5-yl)prop-2-enoic acid hydrochloride
CAS Number:
1955564-32-5
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
IUPAC Name:
3-(3-methylimidazol-4-yl)prop-2-enoic acid;hydrochloride
InChI:
InChI=1S/C7H8N2O2.ClH/c1-9-5-8-4-6(9)2-3-7(10)11;/h2-5H,1H3,(H,10,11);1H
InChI Key:
CZRFTYVUTLJNRW-UHFFFAOYSA-N
SMILES:
Cn1cncc1C=CC(=O)O.Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.611g/mol
Monoisotopic Mass:
188.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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