Dimethyl 2-Sulfoterephthalate - CAS 55447-98-8
Catalog: |
BB029048 |
Product Name: |
Dimethyl 2-Sulfoterephthalate |
CAS: |
55447-98-8 |
Synonyms: |
2,5-bis(methoxycarbonyl)benzenesulfonic acid; 2,5-bis(methoxycarbonyl)benzenesulfonic acid |
IUPAC Name: | 2,5-bis(methoxycarbonyl)benzenesulfonic acid |
Description: | Dimethyl 2-Sulfoterephthalate (CAS# 55447-98-8 ) is a useful research chemical. |
Molecular Weight: | 274.25 |
Molecular Formula: | C10H10O7S |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)O |
InChI: | InChI=1S/C10H10O7S/c1-16-9(11)6-3-4-7(10(12)17-2)8(5-6)18(13,14)15/h3-5H,1-2H3,(H,13,14,15) |
InChI Key: | UOOQUQHTCHZDLK-UHFFFAOYSA-N |
Density: | 1.458 g/cm3 |
LogP: | 1.58730 |
Publication Number | Title | Priority Date |
CN-113195637-A | Release coating compositions and articles made therefrom | 20181221 |
WO-2020102100-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
CN-113166081-A | Compounds and compositions for treating conditions associated with NLRP activity | 20181113 |
EP-3880666-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
CN-110564202-A | Aqueous ink composition comprising polyurethane | 20180605 |
Complexity: | 422 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.01472383 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.01472383 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 115 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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