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1216176-33-8 | "1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione"
CAS No: 1216176-33-8 Catalog No: AG01FMPH MDL No:MFCD14525832
Product Description
Catalog Number:
AG01FMPH
Chemical Name:
"1-(2,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione"
CAS Number:
1216176-33-8
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD14525832
IUPAC Name:
1-(2,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C12H12N2O3/c1-7-3-4-8(2)9(5-7)14-11(16)6-10(15)13-12(14)17/h3-5H,6H2,1-2H3,(H,13,15,17)
InChI Key:
FWTKQGSHQFVCDI-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)N(C(=O)N1)c1cc(C)ccc1C
Properties
Complexity:
367
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:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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