| CAS Number | 135876-30-1 |
| Catalog Number | AG007N5O(AGN-PC-003H74) |
| Chemical Name | 1,3-Isobenzofurandione, 5,5'-(9H-fluoren-9-ylidene)bis- |
| IUPAC Name | 5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione |
| InChI | InChI=1S/C29H14O6/c30-25-19-11-9-15(13-21(19)27(32)34-25)29(16-10-12-20-22(14-16)28(33)35-26(20)31)23-7-3-1-5-17(23)18-6-2-4-8-24(18)29/h1-14H |
| InChI Key | FMACFWAQBPYRFO-UHFFFAOYSA-N |
| MDL Number | MFCD30342552 |
| Molecular Formula | C29H14O6 |
| Molecular Weight | 458.4179 |
| SMILES | O=C(C1=CC=C(C2(C3=CC=C(C4=C3)C(OC4=O)=O)C5=C(C6=C2C=CC=C6)C=CC=C5)C=C17)OC7=O |
| Synonyms | 135876-30-1,
1,3-Isobenzofurandione, 5,5'-(9H-fluoren-9-ylidene)bis-,
ACMC-20mvxb,
SCHEMBL8984687,
CTK0F4017,
DTXSID00567401,
ZINC138768106,
9,9-Bis(3,4-dicarboxyphenyl)fluorene Dianhydride,
5,5'-(9H-Fluorene-9,9-diyl)bis(isobenzofuran-1,3-dione),
5,5'-(9H-Fluorene-9,9-diyl)di(2-benzofuran-1,3-dione),
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| Complexity | 879 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 458.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 458.425g/mol |
| Monoisotopic Mass | 458.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number