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84083-18-1 | Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone,2,7-bis(3-methoxypropyl)-
CAS No: 84083-18-1 Catalog No: AG004T6P MDL No:
Product Description
Catalog Number:
AG004T6P
Chemical Name:
Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone,2,7-bis(3-methoxypropyl)-
CAS Number:
84083-18-1
Molecular Formula:
C22H22N2O6
Molecular Weight:
410.4199
IUPAC Name:
6,13-bis(3-methoxypropyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
InChI:
InChI=1S/C22H22N2O6/c1-29-11-3-9-23-19(25)13-5-7-15-18-16(8-6-14(17(13)18)20(23)26)22(28)24(21(15)27)10-4-12-30-2/h5-8H,3-4,9-12H2,1-2H3
InChI Key:
VZEBIJMLBREBNW-UHFFFAOYSA-N
SMILES:
COCCCn1c(=O)c2ccc3c4c2c(c1=O)ccc4c(=O)n(c3=O)CCCOC
EC Number:
282-067-8
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.148g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.426g/mol
Monoisotopic Mass:
410.148g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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