2-Methyl-1-cyclohexanecarboxylic acid, mixture of cis and trans - CAS 56586-13-1
Catalog: |
BB029414 |
Product Name: |
2-Methyl-1-cyclohexanecarboxylic acid, mixture of cis and trans |
CAS: |
56586-13-1 |
Synonyms: |
2-methylcyclohexane-1-carboxylic acid |
IUPAC Name: | 2-methylcyclohexane-1-carboxylic acid |
Description: | 2-Methyl-1-cyclohexanecarboxylic Acid was used as a reagent in the synthesis of 2,4-disubstituted quinolines which were evaluated as potential anti-tuberculosis agents. Also used in the synthesis of N-(3-(morpholinomethyl)-phenyl)-amides which act as potent and selective CB2 agonists. |
Molecular Weight: | 142.20 |
Molecular Formula: | C8H14O2 |
Canonical SMILES: | CC1CCCCC1C(=O)O |
InChI: | InChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10) |
InChI Key: | VSKXJRZPVDLHFY-UHFFFAOYSA-N |
Boiling Point: | 242.2 ℃ at 760 mmHg |
Density: | 1.025 g/cm3 |
Appearance: | Liquid |
LogP: | 1.89730 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2021117703-A1 | Method for producing polyamide | 20191211 |
JP-2020191971-A | Odor control method | 20190524 |
TW-202104185-A | Carbamethoxime compound and polymerization initiator and polymerizable composition containing the compound | 20190524 |
TW-202037636-A | Polyamide resin, composition and molded product | 20190122 |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.099379685 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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