4-Pentynoic Acid

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	37.3Å²
X Log P3	0.3

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