3-Cyclohexene-1-carboxylic acid - CAS 4771-80-6
Catalog: |
BB026371 |
Product Name: |
3-Cyclohexene-1-carboxylic acid |
CAS: |
4771-80-6 |
Synonyms: |
cyclohex-3-ene-1-carboxylic acid |
IUPAC Name: | cyclohex-3-ene-1-carboxylic acid |
Description: | 3-Cyclohexenylcarboxylic Acid has been found to be an oxidizable, nongrowth substrate and induces the metabolism of cyclohexanecarboxylic acid and benzoic acid in a strain of Pseudomonas putida. 3-Cyclohexenylcarboxylic Acid has been used as food for cultures of Streptomyces sp. KCTC 11604BP fkbO deletion mutant to make 32-dehydroxy-FK506, a FK506 analogue containing a non-natural starter unit. |
Molecular Weight: | 126.15 |
Molecular Formula: | C7H10O2 |
Canonical SMILES: | C1CC(CC=C1)C(=O)O |
InChI: | InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9) |
InChI Key: | VUSWCWPCANWBFG-UHFFFAOYSA-N |
Boiling Point: | 238 °C |
Density: | 1.081 g/cm3 |
MDL: | MFCD00013781 |
LogP: | 1.42730 |
GHS Hazard Statement: | H312 (95.83%): Harmful in contact with skin [Warning Acute toxicity, dermal] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113429730-A | High-strength high-temperature-resistant water supply pipe and preparation method thereof | 20210716 |
AU-2021104095-A4 | Hydrogen-oxygen liquid used for fuel catalysis | 20210713 |
CN-113308070-A | Preparation method of anti-ultraviolet PVC drain pipe | 20210712 |
CN-113479937-A | Method for preparing spheroidal iron oxide | 20210702 |
CN-113461374-A | Anti-freezing and anti-cracking concrete and preparation method thereof | 20210701 |
PMID | Publication Date | Title | Journal |
21579982 | 20091224 | catena-Poly[[trimethyl-tin(IV)]-μ-cyclo-hex-3-ene-1-carboxyl-ato] | Acta crystallographica. Section E, Structure reports online |
21201121 | 20080913 | (1S,3R)-3-Ammonio-cyclo-hexa-necarboxyl-ate | Acta crystallographica. Section E, Structure reports online |
18675545 | 20080815 | Stereoselective synthesis and biological evaluation of 3,4-diaminocyclohexanecarboxylic acid derivatives as factor Xa inhibitors | Bioorganic & medicinal chemistry letters |
17295689 | 20070301 | Experimental elicitation with hydroxyisohexyl-3-cyclohexene carboxaldehyde-containing deodorants | Contact dermatitis |
15658858 | 20050127 | Synthesis and antiviral evaluation of cis-substituted cyclohexenyl and cyclohexanyl nucleosides | Journal of medicinal chemistry |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS