3,5-Dioxocyclohexanecarboxylic Acid - CAS 42858-60-6
Catalog: |
BB025252 |
Product Name: |
3,5-Dioxocyclohexanecarboxylic Acid |
CAS: |
42858-60-6 |
Synonyms: |
3,5-dioxo-1-cyclohexanecarboxylic acid; 3,5-dioxocyclohexane-1-carboxylic acid |
IUPAC Name: | 3,5-dioxocyclohexane-1-carboxylic acid |
Description: | 3,5-Dioxocyclohexanecarboxylic Acid (CAS# 42858-60-6) is a useful reagent in detecting proteins in living cells. |
Molecular Weight: | 156.14 |
Molecular Formula: | C7H8O4 |
Canonical SMILES: | C1C(CC(=O)CC1=O)C(=O)O |
InChI: | InChI=1S/C7H8O4/c8-5-1-4(7(10)11)2-6(9)3-5/h4H,1-3H2,(H,10,11) |
InChI Key: | MCGPFJGIBKPQGO-UHFFFAOYSA-N |
Boiling Point: | 401.509 °C at 760 mmHg |
Density: | 1.398 g/cm3 |
MDL: | MFCD09836162 |
LogP: | 0.00930 |
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-111187163-A | Preparation method of prohexadione calcium intermediate | 20200119 |
CN-110407873-B | Tumor microenvironment H2O2Response crosslinking near-infrared molecular probe and application thereof | 20190730 |
WO-2021018099-A1 | H2o2-responsive crosslinking near-infrared molecular probe for tumor microenvironment and use therefor | 20190730 |
CN-109680016-B | Preparation method of prohexadione calcium | 20181029 |
US-2020096444-A1 | Fluorescent probe for detecting sulfenated protein preparation method thereof and application thereof | 20170613 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.04225873 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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