Basic information
- CAS
110929-06-1- Standard SMILES
CNc1cc2c(O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O- InChIKey
JYANZFITQJUSJC-UHFFFAOYSA-N- Molecular formula
- C11H11NO7S2
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 332.99769404
Names & identifiers
- Preferred name
- 5-Hydroxy-3-(methylamino)naphthalene-2,7-disulfonic acid
- IUPAC
- 5-hydroxy-3-(methylamino)naphthalene-2,7-disulfonic acid
Names & synonyms
110929-06-15-Hydroxy-3-(methylamino)naphthalene-2,7-disulfonic acidSCHEMBL4392142DTXSID70601801
Database identifiers
- CAS
110929-06-1- PubChem CID
- 20028868
- DTXSID
DTXSID70601801
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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