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Home > Imidazoles > 53660-14-3
53660-14-3 | 3-(2-PHENYL-IMIDAZOL-1-YL)-PROPIONIC ACID
CAS No: 53660-14-3 Catalog No: AG00D9D9 MDL No:MFCD03043651
Product Description
Catalog Number:
AG00D9D9
Chemical Name:
3-(2-PHENYL-IMIDAZOL-1-YL)-PROPIONIC ACID
CAS Number:
53660-14-3
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD03043651
IUPAC Name:
3-(2-phenylimidazol-1-yl)propanoic acid
InChI:
InChI=1S/C12H12N2O2/c15-11(16)6-8-14-9-7-13-12(14)10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,15,16)
InChI Key:
ROVVEEAFNMULBJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1ccnc1c1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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