Catalog Number |
ACM6089094 |
CAS |
6089-09-4 |
Structure |
|
IUPAC Name |
pent-4-ynoic acid |
Synonyms |
4-PENTYNOIC ACID;Pent-4-ynoic acid;6089-09-4;Propargylacetic acid;Pent-4-yn-1-oic acid;4-Pentynoic acid, 95%;MFCD00004407;4-pentynoicacid;pent4-ynoic acid;EINECS 228-028-0;zlchem 796;PubChem3491;BRN 1742047;ACMC-1AZ7D;MLBYLEUJXUBIJJ-UHFFFAOYSA-;DTXSID20209730;ZLD0255;BCP33459;ZINC2034206;ANW-56194;BBL103677;SBB009121;STL557487;AKOS000188069;CS-W008784;GS-6696;MCULE-6669146060;VZ29658;AK-32594;4-Pentynoic acid, purum, >=97% (GC);Pent-4-yn-1-oic acid;Propargylacetic acid;DB-053734;BB 0260835;FT-0619364;P2341;ST51016255;K-0091;4-02-00-01693 (Beilstein Handbook Reference);Q27455468;Z1837073401 |
Molecular Weight |
98.10 |
Molecular Formula |
C5H6O2 |
Canonical SMILES |
C#CCCC(=O)O |
InChI |
InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7) |
InChI Key |
MLBYLEUJXUBIJJ-UHFFFAOYSA-N |
Boiling Point |
199.2 °C at 760 mmHg |
Melting Point |
57.7 °C |
Purity |
98% |
Complexity |
107 |
Covalently-Bonded Unit Count |
1 |
EC Number |
228-028-0 |
Exact Mass |
98.036779430g/mol |
Heavy Atom Count |
7 |
Hydrogen Bond Acceptor Count |
2 |
Monoisotopic Mass |
98.036779430g/mol |
Rotatable Bond Count |
2 |
Topological Polar Surface Area |
37.3Ų |
X Log P3 |
0.3 |