2-[(4-Hydroxy-9,10-dioxoanthracen-1-yl)amino]-3-methylbenzenesulfonic acid
Basic information
- CAS
3443-92-3- Standard SMILES
Cc1cccc(S(=O)(=O)O)c1Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O- InChIKey
KYVRCCODRYQIFR-UHFFFAOYSA-N- Molecular formula
- C21H15NO6S
- Average molar mass
- 409.4 g/mol
- Monoisotopic mass
- 409.06200837
Names & identifiers
- Preferred name
- 2-[(4-Hydroxy-9,10-dioxoanthracen-1-yl)amino]-3-methylbenzenesulfonic acid
- IUPAC
- 2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-3-methylbenzenesulfonic acid
Database identifiers
- CAS
3443-92-3- PubChem CID
- 76978
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 762
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…