| CAS Number | 58343-12-7 |
| Catalog Number | AG01C3Q3 |
| Chemical Name | 4,5,6-Trihydroxybenzene-1,3-Dicarbaldehyde |
| IUPAC Name | 4,5,6-trihydroxybenzene-1,3-dicarbaldehyde |
| InChI | InChI=1S/C8H6O5/c9-2-4-1-5(3-10)7(12)8(13)6(4)11/h1-3,11-13H |
| InChI Key | RUJNFDVEPQRMOS-UHFFFAOYSA-N |
| MDL Number | MFCD24676794 |
| Molecular Formula | C8H6O5 |
| Molecular Weight | 182.1302 |
| SMILES | OC1=C(C=O)C=C(C=O)C(O)=C1O |
| Synonyms | 4,5,6-trihydroxybenzene-1,3-dicarbaldehyde,
58343-12-7,
diformyl-trihydroxy-benzene,
ZINC75575830,
2,3,4-Trihydroxy-1,5-benzenedicarbaldehyde,
J3.611.097J,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.131g/mol |
| Monoisotopic Mass | 182.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number