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1466-76-8 | Benzoic acid, 2,6-dimethoxy-
CAS No: 1466-76-8 Catalog No: AG001E6J MDL No:MFCD00002437
Product Description
Catalog Number:
AG001E6J
Chemical Name:
Benzoic acid, 2,6-dimethoxy-
CAS Number:
1466-76-8
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD00002437
IUPAC Name:
2,6-dimethoxybenzoic acid
InChI:
InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key:
MBIZFBDREVRUHY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)O)OC
EC Number:
215-985-4
UNII:
G6B3P1LO43
NSC Number:
28591
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Supramolecular association in proton-transfer adducts containing benzamidinium cations. II. Concomitant polymorphs of the molecular salt of 2,6-dimethoxybenzoic acid with benzamidine. | Acta crystallographica. Section C, Crystal structure communications 20121101 |
| 4-Meth-oxy-benzamidinium 2,6-dimeth-oxy-benzoate. | Acta crystallographica. Section E, Structure reports online 20120201 |
| A new polymorph of 2,6-dimeth-oxy-benzoic acid. | Acta crystallographica. Section E, Structure reports online 20111201 |
| Kinetic and docking studies of phenol-based inhibitors of carbonic anhydrase isoforms I, II, IX and XII evidence a new binding mode within the enzyme active site. | Bioorganic & medicinal chemistry 20110215 |
| Synthesis of aryl ketones by palladium(II)-catalyzed decarboxylative addition of benzoic acids to nitriles. | Angewandte Chemie (International ed. in English) 20101011 |
| Antiosteoporotic activity of phenolic compounds from Curculigo orchioides. | Phytomedicine : international journal of phytotherapy and phytopharmacology 20090901 |
| 2-Iodo-1,3-dimethoxy-benzene. | Acta crystallographica. Section E, Structure reports online 20090801 |
| Redetermination of 2,6-dimethoxy-benzoic acid. | Acta crystallographica. Section E, Structure reports online 20090201 |
| Qualitative and quantitative analysis of the active components of the essential oil from Brickellia veronicaefolia by nuclear magnetic resonance spectroscopy. | Journal of natural products 20060801 |
| Antioxidative phenols and phenolic glycosides from Curculigo orchioides. | Chemical & pharmaceutical bulletin 20050801 |
| Smooth muscle relaxant action of benzyl benzoates and salicylic acid derivatives from Brickellia veronicaefolia on isolated guinea-pig ileum. | Planta medica 20050401 |
| Fungitoxic phenols from carnation (Dianthus caryophyllus) effective against Fusarium oxysporum f. sp. dianthi. | Phytochemical analysis : PCA 20030101 |
| Isolation and characterization of efficient isoxaben-transforming Microbacterium sp strains from four European soils. | Pest management science 20021201 |
| New furanoid diterpenes from Caesalpinia pulcherrima. | Journal of natural products 20020801 |
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