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136897-58-0 | Dodecanamide, N,N'-(9,9',10,10'-tetrahydro-9,9',10,10'-tetraoxo[1,1'-bianthracene]-4,4'-diyl)bis-
CAS No: 136897-58-0 Catalog No: AG0012JM MDL No:
Product Description
Catalog Number:
AG0012JM
Chemical Name:
Dodecanamide, N,N'-(9,9',10,10'-tetrahydro-9,9',10,10'-tetraoxo[1,1'-bianthracene]-4,4'-diyl)bis-
CAS Number:
136897-58-0
Molecular Formula:
C52H60N2O6
Molecular Weight:
809.0426
IUPAC Name:
N-[4-[4-(dodecanoylamino)-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-1-yl]dodecanamide
InChI:
InChI=1S/C52H60N2O6/c1-3-5-7-9-11-13-15-17-19-29-43(55)53-41-33-31-35(45-47(41)51(59)39-27-23-21-25-37(39)49(45)57)36-32-34-42(54-44(56)30-20-18-16-14-12-10-8-6-4-2)48-46(36)50(58)38-26-22-24-28-40(38)52(48)60/h21-28,31-34H,3-20,29-30H2,1-2H3,(H,53,55)(H,54,56)
InChI Key:
ZKKKLLCZQLMYEQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)c1ccc(c2c1C(=O)c1ccccc1C2=O)NC(=O)CCCCCCCCCCC
Properties
Complexity:
1340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
808.445g/mol
Formal Charge:
0
Heavy Atom Count:
60
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
809.06g/mol
Monoisotopic Mass:
808.445g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.2
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