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116229-45-9 | Pyrimidine, 5-decyl-2-[4-(2-propoxypropoxy)phenyl]-
CAS No: 116229-45-9 Catalog No: AG000C07 MDL No:
Product Description
Catalog Number:
AG000C07
Chemical Name:
Pyrimidine, 5-decyl-2-[4-(2-propoxypropoxy)phenyl]-
CAS Number:
116229-45-9
Molecular Formula:
C26H40N2O2
Molecular Weight:
412.6080
IUPAC Name:
5-decyl-2-[4-(2-propoxypropoxy)phenyl]pyrimidine
InChI:
InChI=1S/C26H40N2O2/c1-4-6-7-8-9-10-11-12-13-23-19-27-26(28-20-23)24-14-16-25(17-15-24)30-21-22(3)29-18-5-2/h14-17,19-20,22H,4-13,18,21H2,1-3H3
InChI Key:
ULSFYRXAIYTYKR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1cnc(nc1)c1ccc(cc1)OCC(OCCC)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.309g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.618g/mol
Monoisotopic Mass:
412.309g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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