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207602-40-2 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dimethyl-1-(2-methylphenyl)-
CAS No: 207602-40-2 Catalog No: AG002J5Z MDL No:
Product Description
Catalog Number:
AG002J5Z
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dimethyl-1-(2-methylphenyl)-
CAS Number:
207602-40-2
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
5,5-dimethyl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C13H14N2O3/c1-8-6-4-5-7-9(8)15-11(17)13(2,3)10(16)14-12(15)18/h4-7H,1-3H3,(H,14,16,18)
InChI Key:
QVMDWHVRFAUMTG-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(C(=O)N1c1ccccc1C)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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