Basic information
- CAS
118-37-6- Standard SMILES
CC(=O)Nc1cccc2ccc(S(=O)(=O)O)cc12- InChIKey
IHAUFFPRNZQYJZ-UHFFFAOYSA-N- Molecular formula
- C12H11NO4S
- Average molar mass
- 265.29 g/mol
- Monoisotopic mass
- 265.04087901
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 8-(acetylamino)-
- IUPAC
- 8-acetamidonaphthalene-2-sulfonic acid
Names & synonyms
8-acetamidonaphthalene-2-sulfonic acid2-Naphthalenesulfonic acid, 8-(acetylamino)-118-37-6SCHEMBL4102145DTXSID80328572
Database identifiers
- CAS
118-37-6- PubChem CID
- 412059
- DTXSID
DTXSID80328572
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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