3-Heptynoic acid

Base Information Edit

Chemical Name:3-Heptynoic acid
CAS No.:59862-93-0
Molecular Formula:C7H10O2
Molecular Weight:126.1531
Hs Code.:
DSSTox Substance ID:DTXSID20415571
Nikkaji Number:J730.584B
Metabolomics Workbench ID:898
Mol file:59862-93-0.mol

Synonyms:3-Heptynoic acid;hept-3-ynoic acid;59862-93-0;SCHEMBL576726;DTXSID20415571;CHEBI:188196;CVEHSFVOOYBVIX-UHFFFAOYSA-N;LMFA01030488;AKOS006378990

Suppliers and Price of 3-Heptynoic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 3-Heptynoic acid Edit

Chemical Property:

Melting Point:-3.32°C (estimate)
Refractive Index:1.3961 (estimate)
Boiling Point:271.43°C (rough estimate)
PKA:3.50±0.10(Predicted)
PSA：37.30000
Density:1.0668 (rough estimate)
LogP:1.26460
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:126.068079557
Heavy Atom Count:9
Complexity:147

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC#CCC(=O)O

Technology Process of 3-Heptynoic acid

There total 5 articles about 3-Heptynoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 72.0%