1,4-Pentadiyn-3-ol (56598-53-9)

The 1,4-Pentadiyn-3-ol with the CAS number 3-Hydroxy-1,4-pentadiyne. The systematic name is penta-1,4-diyn-3-ol. Its molecular formula is C₅H₄O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1,4-Pentadiyn-3-ol are: (1)ACD/LogP: -0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29; (8)ACD/KOC (pH 7.4): 29; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 22.363 cm³; (15)Molar Volume: 76.481 cm³; (16)Polarizability: 8.865×10^-24cm³; (17)Surface Tension: 49.807 dyne/cm; (18)Enthalpy of Vaporization: 43.853 kJ/mol; (19)Vapour Pressure: 2.714 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C#CC(C#C)O
(2)InChI: InChI=1/C5H4O/c1-3-5(6)4-2/h1-2,5-6H
(3)InChIKey: BKDYPNZJRPEUEI-UHFFFAOYAF