5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1)
Basic information
- CAS
70615-17-7- Standard SMILES
N.O=C1OC(=O)c2cc(S(=O)(=O)O)ccc21- InChIKey
ACQBQXUJPUYIIK-UHFFFAOYSA-N- Molecular formula
- C8H7NO6S
- Average molar mass
- 245.21 g/mol
- Monoisotopic mass
- 244.99940812
Names & identifiers
- Preferred name
- 5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1)
- IUPAC
- azane;1,3-dioxo-2-benzofuran-5-sulfonic acid
Names & synonyms
Ammonium sulfophthalateDTXSID40720755-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1)RefChem:102978DTXCID704670870615-17-7SCHEMBL27470779ACQBQXUJPUYIIK-UHFFFAOYSA-N1,3-Dioxo-1,3-dihydro-2-benzofuran-5-sulfonic acid--ammonia (1/1)
Database identifiers
- CAS
70615-17-7- PubChem CID
- 112430
- DTXSID
DTXSID4072075
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 405
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Isobenzofuransulfonic acid, 1,3-dihydro-1,3-dioxo-, ammonium salt (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…