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6443-69-2 | 3,4,5-Trimethoxytoluene
CAS No: 6443-69-2 Catalog No: AG0033I2 MDL No:MFCD00008397
Product Description
Catalog Number:
AG0033I2
Chemical Name:
3,4,5-Trimethoxytoluene
CAS Number:
6443-69-2
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
MDL Number:
MFCD00008397
IUPAC Name:
1,2,3-trimethoxy-5-methylbenzene
InChI:
InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3
InChI Key:
KCIZTNZGSBSSRM-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1OC)C
EC Number:
229-239-0
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Physicochemical study and characterization of the trimethoprim/2-hydroxypropyl-γ-cyclodextrin inclusion complex. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120201 |
| Synthesis and biological evaluation of phenanthrenes as cytotoxic agents with pharmacophore modeling and ChemGPS-NP prediction as topo II inhibitors. | PloS one 20120101 |
| Structure-activity relationships studies in a series of N,N-bis(alkanol)amine aryl esters as P-glycoprotein (Pgp) dependent multidrug resistance (MDR) inhibitors. | Journal of medicinal chemistry 20100225 |
| Re-refinement from deposited X-ray data can deliver improved models for most PDB entries. | Acta crystallographica. Section D, Biological crystallography 20090201 |
| 1-(4-tert-Butyl-benz-yl)-3-(3,4,5-tri-methoxy-benz-yl)benzimidazolium bromide monohydrate. | Acta crystallographica. Section E, Structure reports online 20090101 |
| Constituents of Asarum sieboldii with inhibitory activity on lipopolysaccharide (LPS)-induced NO production in BV-2 microglial cells. | Chemistry & biodiversity 20080201 |
| One pot synthesis of alpha-aminophosphonates containing bromo and 3,4,5-trimethoxybenzyl groups under solvent-free conditions. | Molecules (Basel, Switzerland) 20070207 |
| Aqueous chlorination of the antibacterial agent trimethoprim: reaction kinetics and pathways. | Water research 20070201 |
| Study of the physicochemical properties of trimethoprim with beta-cyclodextrin in solution. | Journal of pharmaceutical and biomedical analysis 20050615 |
| New constituents of Leontopodium alpinum and their in vitro leukotriene biosynthesis inhibitory activity. | Planta medica 20041001 |
| Concise synthesis and structure-activity relationships of combretastatin A-4 analogues, 1-aroylindoles and 3-aroylindoles, as novel classes of potent antitubulin agents. | Journal of medicinal chemistry 20040812 |
| Synthesis and in vitro platelet aggregation and TP receptor binding studies on bicyclic 5,8-ethanooctahydroisoquinolines and 5,8-ethanotetrahydroisoquinolines. | Bioorganic & medicinal chemistry 20020801 |
| QSAR analyses of the substituted indanone and benzylpiperidine rings of a series of indanone-benzylpiperidine inhibitors of acetylcholinesterase. | Journal of medicinal chemistry 19920207 |
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