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(S)-Pent-3-yne-2-ol

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Name

(S)-Pent-3-yne-2-ol

EINECS N/A
CAS No. 90242-65-2 Density 0.912 g/cm3
PSA 20.23000 LogP 0.39050
Solubility N/A Melting Point N/A
Formula C5H8O Boiling Point 149.195 °C at 760 mmHg
Molecular Weight 84.1179 Flash Point 56.914 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 90242-65-2 ((S)-Pent-3-yne-2-ol) Hazard Symbols N/A
Synonyms

3-Pentyn-2-ol,(S)-;(S)-3-Pentyn-2-ol;

 

(S)-Pent-3-yne-2-ol Specification

The (S)-Pent-3-yne-2-ol, with the CAS registry number 90242-65-2, is also known as 3-Pentyn-2-ol, (2S)-. This chemical's molecular formula is C5H8O and molecular weight is 84.12. Its systematic name is called (2S)-pent-3-yn-2-ol.

Physical properties of (S)-Pent-3-yne-2-ol: (1)ACD/LogP: 0.99; (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): 43; (8)ACD/KOC (pH 7.4): 43; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.448; (13)Molar Refractivity: 24.712 cm3; (14)Molar Volume: 92.257 cm3; (15)Surface Tension: 34.349 dyne/cm; (16)Density: 0.912 g/cm3; (17)Flash Point: 56.914 °C; (18)Enthalpy of Vaporization: 44.977 kJ/mol; (19)Boiling Point: 149.195 °C at 760 mmHg; (20)Vapour Pressure: 1.561 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#C[C@@H](O)C)C
(2)InChI: InChI=1/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m0/s1
(3)InChIKey: HJFRLXPEVRXBQZ-YFKPBYRVBJ

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