5-(Ethylsulfonyl)-2-methoxybenzoic Acid - CAS 4840-63-5
Catalog: |
BB026535 |
Product Name: |
5-(Ethylsulfonyl)-2-methoxybenzoic Acid |
CAS: |
4840-63-5 |
Synonyms: |
5-ethylsulfonyl-2-methoxybenzoic acid; 5-ethylsulfonyl-2-methoxybenzoic acid |
IUPAC Name: | 5-ethylsulfonyl-2-methoxybenzoic acid |
Description: | 5-(Ethylsulfonyl)-2-methoxybenzoic Acid (CAS# 4840-63-5) is a useful research chemical. |
Molecular Weight: | 244.26 |
Molecular Formula: | C10H12O5S |
Canonical SMILES: | CCS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)O |
InChI: | InChI=1S/C10H12O5S/c1-3-16(13,14)7-4-5-9(15-2)8(6-7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12) |
InChI Key: | NBFYWQQYIJTQQV-UHFFFAOYSA-N |
Boiling Point: | 470.7 ℃ at 760 mmHg |
Density: | 1.325 g/cm3 |
LogP: | 2.26780 |
Publication Number | Title | Priority Date |
CN-104744332-A | Production method of sultopride hydrochloride | 20131226 |
JP-H0853409-A | Method for producing 5-alkylsulfonylbenzoic acid derivative | 19940810 |
EP-0705259-A1 | Phenyrrole derivatives and their use as dopamine d3 antagonists | 19930625 |
EP-0705259-B1 | Phenyrrole derivatives and their use as dopamine d3 antagonists | 19930625 |
WO-9500508-A1 | Phenyrrole derivatives and their use as dopamine d3 antagonists | 19930625 |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.04054465 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.04054465 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 89 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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