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137572-10-2 | 1,10-Phenanthroline, 2,9-bis[2,6-bis(2-methoxyethoxy)phenyl]-
CAS No: 137572-10-2 Catalog No: AG0013KA MDL No:
Product Description
Catalog Number:
AG0013KA
Chemical Name:
1,10-Phenanthroline, 2,9-bis[2,6-bis(2-methoxyethoxy)phenyl]-
CAS Number:
137572-10-2
Molecular Formula:
C36H40N2O8
Molecular Weight:
628.7114
IUPAC Name:
2,9-bis[2,6-bis(2-methoxyethoxy)phenyl]-1,10-phenanthroline
InChI:
InChI=1S/C36H40N2O8/c1-39-17-21-43-29-7-5-8-30(44-22-18-40-2)33(29)27-15-13-25-11-12-26-14-16-28(38-36(26)35(25)37-27)34-31(45-23-19-41-3)9-6-10-32(34)46-24-20-42-4/h5-16H,17-24H2,1-4H3
InChI Key:
LQVYIJNQOAJORJ-UHFFFAOYSA-N
SMILES:
COCCOc1cccc(c1c1ccc2c(n1)c1nc(ccc1cc2)c1c(OCCOC)cccc1OCCOC)OCCOC
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
628.278g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
628.722g/mol
Monoisotopic Mass:
628.278g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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