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Home > Imidazoles > 690990-76-2
690990-76-2 | 1-[2-(3,4-dimethoxyphenyl)-1-hydroxy-4-methyl-1H-imidazol-5-yl]ethanone
CAS No: 690990-76-2 Catalog No: AG00JH78 MDL No:MFCD03719684
Product Description
Catalog Number:
AG00JH78
Chemical Name:
1-[2-(3,4-dimethoxyphenyl)-1-hydroxy-4-methyl-1H-imidazol-5-yl]ethanone
CAS Number:
690990-76-2
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
MDL Number:
MFCD03719684
IUPAC Name:
1-[2-(3,4-dimethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone
InChI:
InChI=1S/C14H16N2O4/c1-8-13(9(2)17)16(18)14(15-8)10-5-6-11(19-3)12(7-10)20-4/h5-7,18H,1-4H3
InChI Key:
XXLAUKXTMHHSHI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1nc(c(n1O)C(=O)C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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