Tricarballylic acid - CAS 99-14-9
Catalog: |
BB042264 |
Product Name: |
Tricarballylic acid |
CAS: |
99-14-9 |
Synonyms: |
propane-1,2,3-tricarboxylic acid |
IUPAC Name: | propane-1,2,3-tricarboxylic acid |
Description: | Tricarballylic acid (CAS# 99-14-9) is a useful research chemical. |
Molecular Weight: | 176.12 |
Molecular Formula: | C6H8O6 |
Canonical SMILES: | C(C(CC(=O)O)C(=O)O)C(=O)O |
InChI: | InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
InChI Key: | KQTIIICEAUMSDG-UHFFFAOYSA-N |
Boiling Point: | 266.4 °C at 760 mmHg |
Melting Point: | 154-159 °C |
Purity: | 95 % |
Density: | 1.574 g/cm3 |
Solubility: | 3.32E+05 mg/L at 18C (exp) |
Appearance: | Off-white to light brown fine crystalline powder |
MDL: | MFCD00002723 |
LogP: | -0.36340 |
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 |
23018274 | 20121101 | Interaction of [Ru(η⁶-p-cym)(H₂O)₃]²⁺ with citrate and tricarballate ions in aqueous solution; X-ray crystal structure of novel half-sandwich Ru(II)-citrato complexes | Journal of inorganic biochemistry |
22029260 | 20111208 | Reactions of atomic metal anions in the gas phase: competition between electron transfer, proton abstraction and bond activation | The journal of physical chemistry. A |
22044664 | 20111101 | The evolution of metabolic networks of E. coli | BMC systems biology |
21985032 | 20111010 | Genome organization of epidemic Acinetobacter baumannii strains | BMC microbiology |
21503761 | 20110801 | Enzyme characteristics of aminotransferase FumI of Sphingopyxis sp. MTA144 for deamination of hydrolyzed fumonisin B₁ | Applied microbiology and biotechnology |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.03208797 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.03208797 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 112 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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