Home Other Building Blocks 3-(1H-imidazol-2-yl)prop-2-enoic acid hydrochloride

3-(1H-imidazol-2-yl)prop-2-enoic acid hydrochloride

CAS No.:
1297344-66-1
Catalog Number:
AG01C2UP
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
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Product Description
Catalog Number:
AG01C2UP
Chemical Name:
3-(1H-imidazol-2-yl)prop-2-enoic acid hydrochloride
CAS Number:
1297344-66-1
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD29055139
IUPAC Name:
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
InChI Key:
ZKYURINWZYDTFA-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ncc[nH]1.Cl
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1  
Properties