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116397-96-7 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-octadecyl-3-octyl-
CAS No: 116397-96-7 Catalog No: AG000CEH MDL No:
Product Description
Catalog Number:
AG000CEH
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-octadecyl-3-octyl-
CAS Number:
116397-96-7
Molecular Formula:
C30H56N2O3
Molecular Weight:
492.7772
IUPAC Name:
1-octadecyl-3-octyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C30H56N2O3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-32-29(34)27-28(33)31(30(32)35)25-23-21-10-8-6-4-2/h3-27H2,1-2H3
InChI Key:
XBHLCNJXOYKZSK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN1C(=O)CC(=O)N(C1=O)CCCCCCCC
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.429g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.789g/mol
Monoisotopic Mass:
492.429g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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