2,6-Diethoxybenzoic acid - CAS 82935-36-2
Catalog: |
BB036938 |
Product Name: |
2,6-Diethoxybenzoic acid |
CAS: |
82935-36-2 |
Synonyms: |
2,6-diethoxybenzoic acid |
IUPAC Name: | 2,6-diethoxybenzoic acid |
Description: | 2,6-Diethoxybenzoic acid (CAS# 82935-36-2 ) is a useful research chemical. |
Molecular Weight: | 210.23 |
Molecular Formula: | C11H14O4 |
Canonical SMILES: | CCOC1=C(C(=CC=C1)OCC)C(=O)O |
InChI: | InChI=1S/C11H14O4/c1-3-14-8-6-5-7-9(15-4-2)10(8)11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13) |
InChI Key: | XUIVSLVJEQVKLB-UHFFFAOYSA-N |
Boiling Point: | 340 ℃ at 760 mmHg |
Density: | 1.148 g/cm3 |
MDL: | MFCD00156982 |
LogP: | 2.18220 |
Publication Number | Title | Priority Date |
CN-106748604-A | A kind of method for synthesizing single iodo aromatic hydrocarbon or two iodo aromatic hydrocarbons based on aromatic carboxylic acid's decarboxylic reaction | 20161118 |
CN-106748604-B | Method for synthesizing mono-iodo aromatic hydrocarbon or di-iodo aromatic hydrocarbon based on decarboxylation of aromatic carboxylic acid | 20161118 |
EP-3057957-A1 | Cyclopentylbenzamide derivatives and their use for the treatment of psychotic and cognitive disorders | 20131015 |
EP-3057957-B1 | Cyclopentylbenzamide derivatives and their use for the treatment of psychotic and cognitive disorders | 20131015 |
JP-2016537324-A | Cyclopentylbenzamide derivatives and their use in the treatment of psychiatric and cognitive disorders | 20131015 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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