3-Cyclohexanepropionic acid - CAS 701-97-3
Catalog: |
BB034095 |
Product Name: |
3-Cyclohexanepropionic acid |
CAS: |
701-97-3 |
Synonyms: |
3-cyclohexylpropanoic acid |
IUPAC Name: | 3-cyclohexylpropanoic acid |
Description: | 3-Cyclohexanepropionic acid (CAS# 701-97-3) is a small lead compound that possess potential antifungal properties and effective against candida albicans and sacchromyces cerevisiae. |
Molecular Weight: | 156.22 |
Molecular Formula: | C9H16O2 |
Canonical SMILES: | C1CCC(CC1)CCC(=O)O |
InChI: | InChI=1S/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11) |
InChI Key: | HJZLEGIHUQOJBA-UHFFFAOYSA-N |
Boiling Point: | 275.7 °C |
Melting Point: | 14-17 °C |
Purity: | 95 % |
Density: | 0.998 g/cm3 |
Appearance: | Colerless transparent liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00001527 |
LogP: | 2.43150 |
GHS Hazard Statement: | H302 (70.15%): 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-113292484-A | 3- (4-methylpiperidine-1-yl) -3-benzylurea compound and analogue, preparation method and application thereof | 20210604 |
CN-113292515-A | Urea compound containing piperazine group and preparation method and application thereof | 20210604 |
CN-113354621-A | Pyridine group-containing 1-substituted benzyl-3-aryl urea compound and preparation method and application thereof | 20210604 |
JP-2021154560-A | Thermal discoloration writing tool | 20200326 |
CN-113121609-A | Metal complex, electroluminescent device comprising metal complex and application of electroluminescent device | 20200116 |
PMID | Publication Date | Title | Journal |
22153872 | 20120101 | Synthesis of novel 3-cyclohexylpropanoic acid-derived nitrogen heterocyclic compounds and their evaluation for tuberculostatic activity | Bioorganic & medicinal chemistry |
21641692 | 20110901 | Design, synthesis, bioconversion, and pharmacokinetics evaluation of new ester prodrugs of olmesartan | European journal of medicinal chemistry |
21459409 | 20110701 | Naphthenic acid biodegradation by the unicellular alga Dunaliella tertiolecta | Chemosphere |
21713088 | 20110501 | A comparative study of the pharmacokinetics of traditional and automated dosing/blood sampling systems using gabapentin | Indian journal of pharmacology |
16046826 | 20050630 | Metabolite fingerprinting in transgenic Nicotiana tabacum altered by the Escherichia coli glutamate dehydrogenase gene | Journal of biomedicine & biotechnology |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.115029749 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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