Trimesic acid - CAS 554-95-0
Catalog: |
BB029055 |
Product Name: |
Trimesic acid |
CAS: |
554-95-0 |
Synonyms: |
benzene-1,3,5-tricarboxylic acid |
IUPAC Name: | benzene-1,3,5-tricarboxylic acid |
Description: | Trimesic acid (CAS# 554-95-0) is used for multifunctional therapeutics. It shows inhibitory activity against Torpedo Californica acetylcholinesterase and prevented amyloid-β peptide aggregate formation. |
Molecular Weight: | 210.14 |
Molecular Formula: | C9H6O6 |
Canonical SMILES: | C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O |
InChI: | InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15) |
InChI Key: | QMKYBPDZANOJGF-UHFFFAOYSA-N |
Boiling Point: | 309.65 °C (rough estimate) |
Melting Point: | >300 °C (lit.) |
Flash Point: | 328°C |
Purity: | 98 % |
Density: | 1.654 g/cm3 |
Appearance: | White to light yellow powder to crystal |
Storage: | Store below +30 °C. |
MDL: | MFCD00002517 |
LogP: | 0.78120 |
Refractive Index: | 1.6000 (estimate) |
Vapor Pressure: | 0.00000003 [mmHg] |
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 |
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PMID | Publication Date | Title | Journal |
23062834 | 20121201 | Developing an efficient TiO2-coated biofilm carrier for intimate coupling of photocatalysis and biodegradation | Water research |
22903056 | 20121014 | A self-catenated network containing unprecedented 0D + 2D → 2D polycatenation array | Dalton transactions (Cambridge, England : 2003) |
23061851 | 20121014 | Eigen-like hydrated protons traveling with a local distortion through the water nanotube in new molecular porous crystals {[M(III)(H2bim)3](TMA)·20H2O}n (M = Co, Rh, Ru) | The Journal of chemical physics |
22777846 | 20121008 | Substrate templating upon self-assembly of hydrogen-bonded molecular networks on an insulating surface | Small (Weinheim an der Bergstrasse, Germany) |
22811396 | 20121008 | Pre-melting structure transformation of water clusters in nanoporous molecular crystals | Chemphyschem : a European journal of chemical physics and physical chemistry |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.01643791 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.01643791 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 112 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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