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1001330-07-9 | 1,10-Phenanthroline, 3,8-bis(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)-
CAS No: 1001330-07-9 Catalog No: AG000121 MDL No:
Product Description
Catalog Number:
AG000121
Chemical Name:
1,10-Phenanthroline, 3,8-bis(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)-
CAS Number:
1001330-07-9
Molecular Formula:
C24H16N2O4S2
Molecular Weight:
460.5248
IUPAC Name:
3,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,10-phenanthroline
InChI:
InChI=1S/C24H16N2O4S2/c1-2-14-8-16(24-22-18(12-32-24)28-4-6-30-22)10-26-20(14)19-13(1)7-15(9-25-19)23-21-17(11-31-23)27-3-5-29-21/h1-2,7-12H,3-6H2
InChI Key:
NNNJFZNRZQYNOQ-UHFFFAOYSA-N
SMILES:
C1COc2c(O1)c(sc2)c1cnc2c(c1)ccc1c2ncc(c1)c1scc2c1OCCO2
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.055g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.522g/mol
Monoisotopic Mass:
460.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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