1-(4-METHYLPHENYL)PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE - CAS 16348-04-2
Catalog: |
BB043248 |
Product Name: |
1-(4-METHYLPHENYL)PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE |
CAS: |
16348-04-2 |
Synonyms: |
1-(4-Methylphenyl)-1,3,5-trihydropyrimidine-2,4,6-trione; AKOS B028776; IFLAB-BB F1912-0022; 1-p-Tolyl-pyrimidine-2,4,6-trione |
IUPAC Name: | 1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione |
Description: | 1-(4-METHYLPHENYL)PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE (CAS# 16348-04-2 ) is a useful research chemical. |
Molecular Weight: | 218.21 |
Molecular Formula: | C11H10N2O3 |
Canonical SMILES: | CC1=CC=C(C=C1)N2C(=O)CC(=O)NC2=O |
InChI: | InChI=1S/C11H10N2O3/c1-7-2-4-8(5-3-7)13-10(15)6-9(14)12-11(13)16/h2-5H,6H2,1H3,(H,12,14,16) |
InChI Key: | WLGYFVCNEFNYKO-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.334 g/cm3 |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.06914219 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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