Basic information
- CAS
22411-53-6- Standard SMILES
O=C(O)c1cc(C(=O)O)c(S(=O)(=O)O)cc1S(=O)(=O)O- InChIKey
QZVPBBKGFDYOJB-UHFFFAOYSA-N- Molecular formula
- C8H6O10S2
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 325.94023873
Names & identifiers
- Preferred name
- 4,6-Disulphoisophthalic acid
- IUPAC
- 4,6-disulfobenzene-1,3-dicarboxylic acid
- English name
- 4,6-disulphoisophthalic acid
- Molecular formula
- C8H6O10S2
- Molecular weight
- 326.25724
Names & synonyms
4,6-disulfoisophthalic acid4,6-Disulphoisophthalic acid22411-53-64,6-disulfobenzene-1,3-dicarboxylic acid9SR8EYN8QXEINECS 244-965-8disulfoisophthalic acid4,6-Disulfo-1,3-benzenedicarboxylic acidUNII-9SR8EYN8QX4,6-Di-sulfoisophthalic acid4,6-Di-sulphoisophthalic acidSCHEMBL1044488
Show more names
DTXSID90176945QZVPBBKGFDYOJB-UHFFFAOYSA-N1,3-Benzenedicarboxylic acid, 4,6-disulfo-NS00027161
Database identifiers
- CAS
22411-53-6- PubChem CID
- 89699
- DTXSID
DTXSID90176945- UNII
- 9SR8EYN8QX
- EC Number
- 244-965-8
- Nikkaji
- J285.498H
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- FDA UNII
- 9 SR8EYN8QX · 9SR8EYN8QX
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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