3,4-Dimethoxybenzoic acid - CAS 93-07-2
Catalog: |
BB040765 |
Product Name: |
3,4-Dimethoxybenzoic acid |
CAS: |
93-07-2 |
Synonyms: |
3,4-dimethoxybenzoic acid |
Application: |
2-Chloroethyl Ethyl Sulfide is used as a reagent in the synthesis of furfuryl xanthines as adenosine receptor antagonists. It is also used as a reagent in the synthesis of methoxypropyl xanthines as putative A2B receptor antagonists. |
IUPAC Name: | 3,4-dimethoxybenzoic acid |
Description: | 3,4-Dimethoxybenzoic acid is a natural phenol found in the fruits of Phyllanthus emblica L. |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Canonical SMILES: | COC1=C(C=C(C=C1)C(=O)O)OC |
InChI: | InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11) |
InChI Key: | DAUAQNGYDSHRET-UHFFFAOYSA-N |
Boiling Point: | 200-210 °C (0.1 torr) |
Purity: | > 98 % |
Density: | 1.436 g/cm3 (-100 C) |
Appearance: | Powder |
MDL: | MFCD00002500 |
LogP: | 1.40200 |
Quality Standard: | Enterprise Standard |
GHS Hazard Statement: | H302 (15.15%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
22687439 | 20120801 | Synthesis and carbonic anhydrase inhibitory properties of novel bromophenols and their derivatives including natural products: vidalol B | European journal of medicinal chemistry |
22426778 | 20120701 | Veratric acid ameliorates hyperlipidemia and oxidative stress in Wistar rats fed an atherogenic diet | Molecular and cellular biochemistry |
22361750 | 20120601 | Effect of veratric acid on the cardiovascular risk of L-NAME-induced hypertensive rats | Journal of cardiovascular pharmacology |
22333299 | 20120214 | Simultaneous determination of sulpiride and mebeverine by HPLC method using fluorescence detection: application to real human plasma | Chemistry Central journal |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.05790880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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