Basic information
- CAS
126180-64-1- Standard SMILES
O=P(O)(O)c1cccc(S(=O)(=O)O)c1- InChIKey
LEMVIJSLQFNZOM-UHFFFAOYSA-N- Molecular formula
- C6H7O6PS
- Average molar mass
- 238.16 g/mol
- Monoisotopic mass
- 237.97009557
Names & identifiers
- Preferred name
- 3-Phosphonobenzene-1-sulfonic acid
- IUPAC
- 3-phosphonobenzenesulfonic acid
Names & synonyms
126180-64-13-Phosphonobenzene-1-sulfonic acidDTXSID20565161RefChem:281872DTXCID505159373-Phosphonobenzenesulfonic acidm-sulfophenylphosphonic acidm-sulfophenyl phosphonic acid3-sulfophenyl phosphonic acidSCHEMBL2172519SCHEMBL3918947LEMVIJSLQFNZOM-UHFFFAOYSA-N
Database identifiers
- CAS
126180-64-1- PubChem CID
- 14901063
- DTXSID
DTXSID20565161- Nikkaji
- J1.289.556I
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 338
Related reactions
2 records
Compound notes
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