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Home > Imidazoles > 2031285-16-0
2031285-16-0 | 4-(1H-imidazol-1-yl)but-2-enoic acid hydrochloride
CAS No: 2031285-16-0 Catalog No: AG01B794 MDL No:
Product Description
Catalog Number:
AG01B794
Chemical Name:
4-(1H-imidazol-1-yl)but-2-enoic acid hydrochloride
CAS Number:
2031285-16-0
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
IUPAC Name:
4-imidazol-1-ylbut-2-enoic acid;hydrochloride
InChI:
InChI=1S/C7H8N2O2.ClH/c10-7(11)2-1-4-9-5-3-8-6-9;/h1-3,5-6H,4H2,(H,10,11);1H
InChI Key:
HVFGHPOKWSYLFW-UHFFFAOYSA-N
SMILES:
OC(=O)C=CCn1cncc1.Cl
Properties
Complexity:
168
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:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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