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14304-27-9

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Basic Information
CAS No.: 14304-27-9
Name: 1-Penten-4-yn-3-ol
Article Data: 19
Molecular Structure:
Molecular Structure of 14304-27-9 (1-Penten-4-yn-3-ol)
Formula: C5H6O
Molecular Weight: 82.102
Synonyms: 1-PENTEN-4-YN-3-OL;1-PENTEN-4-YN-3-OL,97%
Density: 0.935 g/cm3
Boiling Point: 111.376 °C at 760 mmHg
Flash Point: 6.887 °C
PSA: 20.23000
LogP: 0.16650
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Specification

The 1-Penten-4-yn-3-ol has CAS registry number 14304-27-9. This chemical's molecular formula is C5H6O and molecular weight is 82.1. What's more, its systematic name is Pent-1-en-4-yn-3-ol.

Physical properties about the 1-Penten-4-yn-3-ol are: (1)ACD/LogP: -0.53; (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): 36; (8)ACD/KOC (pH 7.4): 36; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 24.26 cm3; (15)Molar Volume: 87.81 cm3; (16)Surface Tension: 34.744 dyne/cm; (17)Density: 0.935 g/cm3; (18)Flash Point: 6.887 °C; (19)Enthalpy of Vaporization: 40.795 kJ/mol; (20)Boiling Point: 111.376 °C at 760 mmHg; (21)Vapour Pressure: 11.85 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C#CC(O)\C=C
(2) InChI: InChI=1/C5H6O/c1-3-5(6)4-2/h1,4-6H,2H2
(3) InChIKey: YALSXYCXTKPOFY-UHFFFAOYAL