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16348-07-5 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(2-methoxyphenyl)-
CAS No: 16348-07-5 Catalog No: AG001U5R MDL No:MFCD00552551
Product Description
Catalog Number:
AG001U5R
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(2-methoxyphenyl)-
CAS Number:
16348-07-5
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
MDL Number:
MFCD00552551
IUPAC Name:
1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C11H10N2O4/c1-17-8-5-3-2-4-7(8)13-10(15)6-9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16)
InChI Key:
PEYOYDLJJVRUQB-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1C(=O)CC(=O)NC1=O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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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