3-Methyl-2-oxo-butanoic Acid - CAS 759-05-7
Catalog: |
BB035437 |
Product Name: |
3-Methyl-2-oxo-butanoic Acid |
CAS: |
759-05-7 |
Synonyms: |
3-methyl-2-oxobutanoic acid; 3-methyl-2-oxobutanoic acid |
IUPAC Name: | 3-methyl-2-oxobutanoic acid |
Description: | 3-Methyl-2-oxo-butanoic Acid (CAS# 759-05-7) is a useful intermediate used in the preparation of Metal Organic Frameworks (MOFs). 4,4'-[2,2'-Bipyridine]-5,5'-diylbis[benzoic acid] has been used in Pt, cobalt-bipyridine- and cobalt-phenanthroline-based MOF preparations. |
Molecular Weight: | 116.12 |
Molecular Formula: | C5H8O3 |
Canonical SMILES: | CC(C)C(=O)C(=O)O |
InChI: | InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) |
InChI Key: | QHKABHOOEWYVLI-UHFFFAOYSA-N |
Boiling Point: | 170.2 °C at 760 mmHg |
Melting Point: | 31.5 °C |
Density: | 1.125 g/cm3 |
Appearance: | Colorless clear liquid |
MDL: | MFCD00040427 |
LogP: | 0.29610 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113462630-A | High-yield D-pantothenic acid genetically engineered bacterium and construction and application thereof | 20210723 |
CN-113462669-A | Ketone pantoate hydroxymethyltransferase mutant, coding gene and application thereof | 20210723 |
CN-113484435-A | Application of substance for detecting plasma branched chain amino acid and branched chain alpha keto acid level and product | 20210705 |
KR-102281370-B1 | Novel 2-isopropylmalate synthase variant and a method for producing L-valine using the same | 20210407 |
CN-113151130-A | Genetically engineered bacterium and application thereof in preparation of isobutanol by bioconversion of methane | 20210315 |
PMID | Publication Date | Title | Journal |
23354699 | 20130401 | Identification of homophenylalanine biosynthetic genes from the cyanobacterium Nostoc punctiforme PCC73102 and application to its microbial production by Escherichia coli | Applied and environmental microbiology |
22941373 | 20121201 | Improved 2-methyl-1-propanol production in an engineered Bacillus subtilis by constructing inducible pathways | Biotechnology letters |
22543927 | 20121101 | Isobutanol production in engineered Saccharomyces cerevisiae by overexpression of 2-ketoisovalerate decarboxylase and valine biosynthetic enzymes | Bioprocess and biosystems engineering |
22956686 | 20121019 | Mutations in BCKD-kinase lead to a potentially treatable form of autism with epilepsy | Science (New York, N.Y.) |
23087240 | 20121019 | Neuroscience. Preventable forms of autism? | Science (New York, N.Y.) |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS