2,4-Dimethoxybenzoic acid - CAS 91-52-1
Catalog: |
BB040228 |
Product Name: |
2,4-Dimethoxybenzoic acid |
CAS: |
91-52-1 |
Synonyms: |
2,4-dimethoxybenzoic acid |
IUPAC Name: | 2,4-dimethoxybenzoic acid |
Description: | 2,4-Dimethoxybenzoic acid (CAS# 91-52-1) is a useful research chemical compound. |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Canonical SMILES: | COC1=CC(=C(C=C1)C(=O)O)OC |
InChI: | InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11) |
InChI Key: | GPVDHNVGGIAOQT-UHFFFAOYSA-N |
Boiling Point: | 313 °C at 760 mmHg |
Melting Point: | 107-111 °C |
Purity: | 98 % |
Density: | 1.214 g/cm3 |
Appearance: | White to off-white powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002434 |
LogP: | 1.40200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21222475 | 20110204 | Pd/PR3-catalyzed cross-coupling of aromatic carboxylic acids with electron-deficient polyfluoroarenes via combination of decarboxylation with sp2 C-H cleavage | The Journal of organic chemistry |
21434432 | 20101101 | [Studies on the chemical constituents of Toricellia angulata var. intermedia] | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials |
15989350 | 20050708 | Stereoselective synthesis of beta-anomeric 4'-thiaspirocyclic ribonucleosides carrying the full complement of RNA-level hydroxyl substitution | The Journal of organic chemistry |
15071229 | 20040401 | 2,4-dimethoxybenzoic acid and 2,5-dimethoxybenzoic acid | Acta crystallographica. Section C, Crystal structure communications |
12617595 | 20030312 | High-performance liquid chromatography determination of phenolic constituents in 17 varieties of cowpeas | Journal of agricultural and food chemistry |
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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