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142940-81-6 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(2-ethylphenyl)-, (±)-
CAS No: 142940-81-6 Catalog No: AG01FMPM MDL No:MFCD02194210
Product Description
Catalog Number:
AG01FMPM
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(2-ethylphenyl)-, (±)-
CAS Number:
142940-81-6
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD02194210
IUPAC Name:
1-(2-ethylphenyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C12H12N2O3/c1-2-8-5-3-4-6-9(8)14-11(16)7-10(15)13-12(14)17/h3-6H,2,7H2,1H3,(H,13,15,17)
InChI Key:
TYBRNGGSYFYIRM-UHFFFAOYSA-N
SMILES:
CCc1ccccc1N1C(=O)CC(=O)NC1=O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^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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