3-Oxo-1-cyclohexanecarboxylic acid - CAS 16205-98-4
Catalog: |
BB011825 |
Product Name: |
3-Oxo-1-cyclohexanecarboxylic acid |
CAS: |
16205-98-4 |
Synonyms: |
3-oxocyclohexane-1-carboxylic acid |
IUPAC Name: | 3-oxocyclohexane-1-carboxylic acid |
Description: | 3-Oxo-1-cyclohexanecarboxylic acid (CAS# 16205-98-4) is a useful research chemical. |
Molecular Weight: | 142.15 |
Molecular Formula: | C7H10O3 |
Canonical SMILES: | C1CC(CC(=O)C1)C(=O)O |
InChI: | InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10) |
InChI Key: | WATQNARHYZXAGY-UHFFFAOYSA-N |
Boiling Point: | 309.7 °C at 760 mmHg |
Density: | 1.233 g/cm3 |
Appearance: | White to yellow powder or crystals |
MDL: | MFCD01320172 |
LogP: | 0.83030 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149996-A | Polycyclic amide derivative serving as CDK9 inhibitor, and preparation method and application thereof | 20200512 |
TW-202016107-A | Thiophene derivatives for treating diseases caused by IgE | 20180621 |
JP-2019203178-A | Metal fatigue resistance imparting agent and metal fatigue resistance imparting method | 20180525 |
WO-2019214610-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180508 |
AU-2019266729-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of HBV infection or of HBV-induced diseases | 20180508 |
PMID | Publication Date | Title | Journal |
11870311 | 20020301 | (+/-)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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