Basic information
- CAS
879-98-1- Standard SMILES
COc1ccc(S(=O)(=O)O)cc1O- InChIKey
PFXZMBNHLUZPPW-UHFFFAOYSA-N- Molecular formula
- C7H8O5S
- Average molar mass
- 204.2 g/mol
- Monoisotopic mass
- 204.00924453
Names & identifiers
- Preferred name
- 3-Hydroxy-4-methoxybenzenesulfonic acid
- IUPAC
- 3-hydroxy-4-methoxybenzenesulfonic acid
- English name
- Benzenesulfonic acid, 3-hydroxy-4-methoxy-
- Molecular formula
- C7H8O5S
- Molecular weight
- 204.2
Names & synonyms
3-hydroxy-4-methoxybenzenesulfonic acid5-guaiacolsulfonic acidUNII-05L0075KBX05L0075KBXRefChem:198299879-98-1Benzenesulfonic acid, 3-hydroxy-4-methoxy-p-Guajacolsulfosaure3-hydroxy-4-methoxybenzene-1-sulfonic acidGuaiacol-5-Sulfonic AcidSCHEMBL2123784DTXSID101020664
Show more names
Calcium Dobesilate Impurity 21
MFCD24713441H83586Q272361223-Hydroxy-4-methoxybenzenesulfonic acid; 5-Guaiacolsulfonic acid; 3-Hydroxy-4-methoxybenzene-1-sulfonic acid
Database identifiers
- CAS
879-98-1- PubChem CID
- 24181
- DTXSID
DTXSID101020664- UNII
- 05L0075KBX
- Nikkaji
- J28.716D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- FDA UNII
- 5 L0075KBX · 05L0075KBX
Chemistry & industry
Applications
Uses3-Hydroxy-4-methoxybenzenesulfonic Acid has been shown to have antitumor activity mice and rats inoculated with leukemia, adenocarcinoma, carcinosarcoma, and ovarian carcinoma cells.
Suppliers8 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…