1,2,4-Butanetricarboxylic acid - CAS 923-42-2
Catalog: |
BB040493 |
Product Name: |
1,2,4-Butanetricarboxylic acid |
CAS: |
923-42-2 |
Synonyms: |
butane-1,2,4-tricarboxylic acid |
IUPAC Name: | butane-1,2,4-tricarboxylic acid |
Description: | 1,2,4-Butanetricarboxylic acid (CAS# 923-42-2) is a useful research chemical. |
Molecular Weight: | 190.15 |
Molecular Formula: | C7H10O6 |
Canonical SMILES: | C(CC(=O)O)C(CC(=O)O)C(=O)O |
InChI: | InChI=1S/C7H10O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h4H,1-3H2,(H,8,9)(H,10,11)(H,12,13) |
InChI Key: | LOGBRYZYTBQBTB-UHFFFAOYSA-N |
Boiling Point: | 347.9 °C at 760 mmHg |
Density: | 1.481 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00152304 |
LogP: | 0.02670 |
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 |
19208259 | 20090210 | Comparative genomic analyses of nickel, cobalt and vitamin B12 utilization | BMC genomics |
18304808 | 20081001 | Fermentation characteristics of Fusariumoxysporum grown on acetate | Bioresource technology |
18759453 | 20080923 | Structural characterization of a putative endogenous metal chelator in the periplasmic nickel transporter NikA | Biochemistry |
18324727 | 20080401 | The first contribution of capillary electrophoresis to the study of abiotic origins of homochirality: investigation of the enantioselective adsorption of 3-carboxy adipic acid on minerals | Electrophoresis |
17514755 | 20080101 | Characterizing the biochemical activity of full-scale enhanced biological phosphorus removal systems: A comparison with metabolic models | Biotechnology and bioengineering |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.04773803 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.04773803 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 112 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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