Basic information
- CAS
1571-69-3- Standard SMILES
Nc1ccc(C(=O)O)cc1N.O=S(=O)(O)O- InChIKey
LJOXMWDVRIBUJM-UHFFFAOYSA-N- Molecular formula
- C7H10N2O6S
- Average molar mass
- 250.23 g/mol
- Monoisotopic mass
- 250.02595722
Names & identifiers
- Preferred name
- 3,4-Diaminobenzoic acid sulfate(1:1)
- IUPAC
- 3,4-diaminobenzoic acid;sulfuric acid
Names & synonyms
1571-69-33,4-diaminobenzoic acid sulfate(1:1)NSC60732DTXSID80289412NSC-60732AKOS0032488833,4-Diaminobenzoic acid--sulfuric acid (1/1)
Database identifiers
- CAS
1571-69-3- PubChem CID
- 246992
- DTXSID
DTXSID80289412
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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