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140401-12-3 | Pyrimidine, 5-(5-hexen-1-yloxy)-2-[4-(octyloxy)phenyl]-
CAS No: 140401-12-3 Catalog No: AG001CCU MDL No:
Product Description
Catalog Number:
AG001CCU
Chemical Name:
Pyrimidine, 5-(5-hexen-1-yloxy)-2-[4-(octyloxy)phenyl]-
CAS Number:
140401-12-3
Molecular Formula:
C24H34N2O2
Molecular Weight:
382.5390
IUPAC Name:
5-hex-5-enoxy-2-(4-octoxyphenyl)pyrimidine
InChI:
InChI=1S/C24H34N2O2/c1-3-5-7-9-10-12-17-27-22-15-13-21(14-16-22)24-25-19-23(20-26-24)28-18-11-8-6-4-2/h4,13-16,19-20H,2-3,5-12,17-18H2,1H3
InChI Key:
DYUYSIOJAPBLLZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)c1ncc(cn1)OCCCCC=C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.262g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.548g/mol
Monoisotopic Mass:
382.262g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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