3,3'-Sulfonylbis[6-ethoxy-benzoic Acid] - CAS 860563-20-8
Catalog: |
BB076684 |
Product Name: |
3,3'-Sulfonylbis[6-ethoxy-benzoic Acid] |
CAS: |
860563-20-8 |
Synonyms: |
3,3'-Sulfonylbis[6-ethoxy-benzoic Acid]; 5-(3-carboxy-4-ethoxyphenyl)sulfonyl-2-ethoxybenzoic acid; 3,3'-Sulfonylbis(6-ethoxybenzoic acid) |
IUPAC Name: | 5-(3-carboxy-4-ethoxyphenyl)sulfonyl-2-ethoxybenzoic acid |
Description: | 3,3'-Sulfonylbis[6-ethoxy-benzoic Acid] (cas# 860563-20-8) is a compound useful in organic synthesis. |
Molecular Weight: | 394.4 |
Molecular Formula: | C18H18O8S |
Canonical SMILES: | CCOC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C(=O)O)C(=O)O |
InChI: | InChI=1S/C18H18O8S/c1-3-25-15-7-5-11(9-13(15)17(19)20)27(23,24)12-6-8-16(26-4-2)14(10-12)18(21)22/h5-10H,3-4H2,1-2H3,(H,19,20)(H,21,22) |
InChI Key: | DSGDOXYEZTYKNT-UHFFFAOYSA-N |
Solubility: | Dimethyl Sulfoxide, Methanol |
Appearance: | White Solid |
Complexity: | 578 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 394.0722387 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 394.0722387 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 136Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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