2,3,4-Trimethoxybenzaldehyde - CAS 2103-57-3
Catalog: |
BB016552 |
Product Name: |
2,3,4-Trimethoxybenzaldehyde |
CAS: |
2103-57-3 |
Synonyms: |
2,3,4-trimethoxybenzaldehyde |
IUPAC Name: | 2,3,4-trimethoxybenzaldehyde |
Description: | An impurity of Trimetazidine. Trimetazidine is a drug for angina pectoris. |
Molecular Weight: | 196.20 |
Molecular Formula: | C10H12O4 |
Canonical SMILES: | COC1=C(C(=C(C=C1)C=O)OC)OC |
InChI: | InChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3 |
InChI Key: | UCTUXUGXIFRVGX-UHFFFAOYSA-N |
Boiling Point: | 168-170 ℃ (12 mmHg) |
Melting Point: | 40-42 ℃ |
Density: | 1.133 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00003310 |
LogP: | 1.52490 |
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 |
Publication Number | Title | Priority Date |
CN-113379261-A | Technical method for managing and controlling pollution risk of soil and underground water in polluted site | 20210617 |
CN-113214057-A | Method for synthesizing aromatic aldehyde by Lewis acid catalysis | 20210514 |
CN-113121323-A | Preparation method of p-hydroxybenzaldehyde | 20210319 |
CN-112375042-A | Trimethoxy styryl six-membered ring and pyrazolopyrimidine compound, preparation and application thereof | 20201027 |
CN-111840282-A | Application of thiobenzimidazolone Schiff base in inhibition of tyrosinase activity | 20200805 |
PMID | Publication Date | Title | Journal |
24010893 | 20130908 | Anti-Candida properties of asaronaldehyde of Acorus gramineus rhizome and three structural isomers | Chinese medicine |
22259562 | 20120101 | (2E)-1-(5-Bromo-thio-phen-2-yl)-3-(2,3,4-trimeth-oxy-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
22090981 | 20110801 | 2,2-Dimethyl-5-(2,3,4-trimeth-oxy-benzyl-idene)-1,3-dioxane-4,6-dione | Acta crystallographica. Section E, Structure reports online |
21587544 | 20100915 | (1E,2E)-1,2-Bis(2,3,4-trimeth-oxy-benzyl-idene)hydrazine | Acta crystallographica. Section E, Structure reports online |
20936178 | 20100913 | Parameters of Reserpine Analogs That Induce MSH2/MSH6-Dependent Cytotoxic Response | Journal of nucleic acids |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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