2-Hydroxy-5-(morpholine-4-sulfonyl)-benzoic acid
Basic information
- CAS
91134-85-9- Standard SMILES
O=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O- InChIKey
IVYVLEQZZGWQTF-UHFFFAOYSA-N- Molecular formula
- C11H13NO6S
- Average molar mass
- 287.29 g/mol
- Monoisotopic mass
- 287.04635831
Names & identifiers
- Preferred name
- 2-Hydroxy-5-(morpholine-4-sulfonyl)-benzoic acid
- IUPAC
- 2-hydroxy-5-morpholin-4-ylsulfonylbenzoic acid
- English name
- 2-Hydroxy-5-(morpholine-4-sulfonyl)-benzoic acid
- Molecular formula
- C11H13NO6S
- Molecular weight
- 287.29
Names & synonyms
91134-85-92-Hydroxy-5-(morpholine-4-sulfonyl)-benzoic acid2-hydroxy-5-(morpholin-4-ylsulfonyl)benzoic acid2-Hydroxy-5-(morpholinosulfonyl)benzoic acid2-hydroxy-5-(morpholine-4-sulfonyl)benzoic acid2-hydroxy-5-morpholin-4-ylsulfonylbenzoic acidMFCD00539987Oprea1_842927DTXSID50353997RDA13485AKOS000114698CCG-104037
Show more names
2-hydroxy-5-(4-morpholinylsulfonyl)benzoic acidBenzoic acid, 2-hydroxy-5-(4-morpholinylsulfonyl)-2-hydroxy-5-(morpholin-4-ylsulfonyl)benzoic acid(SALTDATA: FREE)
BS-38697DA-261252-Hydroxy-5-(morpholinosulfonyl)benzoicacid2-hydroxy-5-morpholinosulfonyl-benzoic acidCS-0218199ST50062051EN300-00348F314209
Database identifiers
- CAS
91134-85-9- PubChem CID
- 761206
- DTXSID
DTXSID50353997
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Melting point
- 230 °C · 230 °C(Solv: ethanol (64-17-5))
- Boiling point
- 530.3 · 530.3±60.0 °C(Predicted)
- Density
- 1.538 · 1.538±0.06 g/cm3(Predicted)
- pka
- 2.6 · 2.60±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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