| CAS Number | 875535-36-7 |
| Catalog Number | AG00GWDN(AGN-PC-0VEPR6) |
| Chemical Name | 4-Acetoxy-5-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid |
| IUPAC Name | 4-acetyloxy-5-hydroxy-9,10-dioxoanthracene-2-carboxylic acid |
| InChI | InChI=1S/C17H10O7/c1-7(18)24-12-6-8(17(22)23)5-10-14(12)16(21)13-9(15(10)20)3-2-4-11(13)19/h2-6,19H,1H3,(H,22,23) |
| InChI Key | FRIXMWPJYKVOCV-UHFFFAOYSA-N |
| MDL Number | MFCD27977626 |
| Molecular Formula | C17H10O7 |
| Molecular Weight | 326.2571 |
| SMILES | CC(=O)Oc1cc(cc2C(=O)c3cccc(O)c3C(=O)c12)C(=O)O |
| Synonyms | 4-Acetyl Rhein,
875535-36-7,
DTXSID50437665,
ZINC38441545,
AKOS027323739,
FT-0661354,
1-Acetoxy-9,10-dihydro-9,10-dioxo-8-hydroxyanthracene-3-carboxylic acid,
4-(Acetyloxy)-9,10-dihydro-5-hydroxy-9,10-dioxo-2-anthracenecarboxylic Acid,
CID10268224,
4-acetyloxy-5-hydroxy-9,10-dioxo-anthracene-2-carboxylic Acid,
|
| Complexity | 584 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.26g/mol |
| Monoisotopic Mass | 326.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number