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Home > Imidazoles > 90269-13-9
90269-13-9 | 2-IMIDAZOL-1-YL-PROPIONIC ACID
CAS No: 90269-13-9 Catalog No: AG00GYBW MDL No:MFCD06800800
Product Description
Catalog Number:
AG00GYBW
Chemical Name:
2-IMIDAZOL-1-YL-PROPIONIC ACID
CAS Number:
90269-13-9
Molecular Formula:
C6H9ClN2O2
Molecular Weight:
176.6009
MDL Number:
MFCD06800800
IUPAC Name:
2-imidazol-1-ylpropanoic acid;hydrochloride
InChI:
InChI=1S/C6H8N2O2.ClH/c1-5(6(9)10)8-3-2-7-4-8;/h2-5H,1H3,(H,9,10);1H
InChI Key:
KPMNIMWDXWDUCS-UHFFFAOYSA-N
SMILES:
OC(=O)C(n1cncc1)C.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:
2
Isotope Atom Count:
0
Molecular Weight:
176.6g/mol
Monoisotopic Mass:
176.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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