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116418-82-7 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dicyclohexyl-5-diazo-
CAS No: 116418-82-7 Catalog No: AG000CFK MDL No:
Product Description
Catalog Number:
AG000CFK
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dicyclohexyl-5-diazo-
CAS Number:
116418-82-7
Molecular Formula:
C16H22N4O3
Molecular Weight:
318.3709
IUPAC Name:
1,3-dicyclohexyl-5-diazonio-2,6-dioxopyrimidin-4-olate
InChI:
InChI=1S/C16H22N4O3/c17-18-13-14(21)19(11-7-3-1-4-8-11)16(23)20(15(13)22)12-9-5-2-6-10-12/h11-12H,1-10H2
InChI Key:
NQYOXPXTHYGCNA-UHFFFAOYSA-N
SMILES:
O=C1N(C2CCCCC2)C(=O)C(=[N+]=[N-])C(=O)N1C1CCCCC1
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.169g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.377g/mol
Monoisotopic Mass:
318.169g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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