Basic information
- CAS
1209-81-0- Standard SMILES
O=C(O)CS(=O)(=O)c1ccccc1C(=O)O- InChIKey
STPWPICGADJXAM-UHFFFAOYSA-N- Molecular formula
- C9H8O6S
- Average molar mass
- 244.22 g/mol
- Monoisotopic mass
- 244.00415914
Names & identifiers
- Preferred name
- 2-((Carboxymethyl)sulphonyl)benzoic acid
- IUPAC
- 2-(carboxymethylsulfonyl)benzoic acid
- English name
- 2-[(carboxymethyl)sulphonyl]benzoic acid
- Molecular formula
- C9H8O6S
- Molecular weight
- 244.22122
Names & synonyms
1209-81-02-[(carboxymethyl)sulfonyl]benzoic acid2-((Carboxymethyl)sulphonyl)benzoic acid2-[(carboxymethyl)sulphonyl]benzoic acid2-(carboxymethylsulfonyl)benzoic acidCBDivE_0031802-(CARBOXYMETHANESULFONYL)BENZOIC ACIDEINECS 214-908-1CBKinase1_000565CBKinase1_012965Oprea1_405481SCHEMBL11797264
Show more names
DTXSID90153059STPWPICGADJXAM-UHFFFAOYSA-NAKOS001023846NS00045370
Database identifiers
- CAS
1209-81-0- PubChem CID
- 71025
- DTXSID
DTXSID90153059- EC Number
- 214-908-1
- Nikkaji
- J217.063I
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 379
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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