3-Pentynoic Acid - CAS 36781-65-4
Catalog: |
BB023073 |
Product Name: |
3-Pentynoic Acid |
CAS: |
36781-65-4 |
Synonyms: |
3-pentynoic acid; pent-3-ynoic acid |
IUPAC Name: | pent-3-ynoic acid |
Description: | 3-Pentynoic Acid (CAS# 36781-65-4) is a chemical reagent used in the preparation of small-molecule inhibitors of geranylgeranyltransferase Type I. In addition it is used in the synthesis of Salinosporamide A, a proteasome inhibitor with anti-cancer properties. |
Molecular Weight: | 98.10 |
Molecular Formula: | C5H6O2 |
Canonical SMILES: | CC#CCC(=O)O |
InChI: | InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h4H2,1H3,(H,6,7) |
InChI Key: | NIZKVZYBUGUDTI-UHFFFAOYSA-N |
LogP: | 0.48440 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020016453-A1 | Substituted triazolo quinoxaline derivatives | 20180720 |
CN-112673009-A | Substituted triazoloquinoxaline derivatives | 20180720 |
EP-3823971-A1 | Substituted triazolo quinoxaline derivatives | 20180720 |
US-2021139488-A1 | Substituted triazolo quinoxaline derivatives | 20180720 |
CN-108695492-A | Lithium powder, lithium ion secondary battery cathode and lithium rechargeable battery | 20170331 |
PMID | Publication Date | Title | Journal |
21220428 | 20110325 | Selective orthosteric free fatty acid receptor 2 (FFA2) agonists: identification of the structural and chemical requirements for selective activation of FFA2 versus FFA3 | The Journal of biological chemistry |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 98.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.036779430 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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