9,10-Dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7-tetracarboxylic acid
Product Information
Molecular Formula
C24H14O8
Molecular Weight
430.36
Synonyms
9,10[1',2']-Benzenoanthracene-2,3,6,7-tetracarboxylicacid,9,10-dihydro; 9,10-[1,2]Benzeno-9,10-dihydroanthracene-2,3,6,7-tetracarboxylic acid
IUPAC Name
pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4,5,11,12-tetracarboxylic acid
SMILES
C1=CC=C2C3C4=CC(=C(C=C4C(C2=C1)C5=CC(=C(C=C35)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C24H14O8/c25-21(26)15-5-11-13(7-17(15)23(29)30)20-10-4-2-1-3-9(10)19(11)12-6-16(22(27)28)18(24(31)32)8-14(12)20/h1-8,19-20H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChI Key
BAISXRRJJTZVGI-UHFFFAOYSA-N
Purity
97%
Computed Properties
XLogP3
2.9
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
4
Exact Mass
430.0688674
Monoisotopic Mass
430.0688674
Topological Polar Surface Area
149
Heavy Atom Count
32
Formal Charge
0
Complexity
714
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2020018621-A1 | Polymers for use in electronic devices | 2018-07-20 |
