Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | N/A | |
Synonyms |
3-Pentyn-2-ol,(S)-;(S)-3-Pentyn-2-ol; |
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