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Home > Imidazoles > 58555-21-8
58555-21-8 | 3-BENZOIMIDAZOL-1-YL-2-METHYL-PROPIONIC ACID
CAS No: 58555-21-8 Catalog No: AG00EAVK MDL No:MFCD02737575
Product Description
Catalog Number:
AG00EAVK
Chemical Name:
3-BENZOIMIDAZOL-1-YL-2-METHYL-PROPIONIC ACID
CAS Number:
58555-21-8
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD02737575
IUPAC Name:
3-(benzimidazol-1-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C11H12N2O2/c1-8(11(14)15)6-13-7-12-9-4-2-3-5-10(9)13/h2-5,7-8H,6H2,1H3,(H,14,15)
InChI Key:
NIIJKDXDTQPYOQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cn1cnc2c1cccc2)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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