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3-Heptyn-2-one

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Name

3-Heptyn-2-one

EINECS N/A
CAS No. 26059-43-8 Density 0.884 g/cm3
PSA 17.07000 LogP 1.37890
Solubility N/A Melting Point N/A
Formula C7H10O Boiling Point 154.3 °C at 760 mmHg
Molecular Weight 110.156 Flash Point 50.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 26059-43-8 (3-Heptyn-2-one) Hazard Symbols N/A
Synonyms

3-HEPTYN-2-ONE;3-Heptyn-2-one (6CI,7CI,8CI,9CI)

Article Data 2

3-Heptyn-2-one Specification

The CAS registry number of 3-Heptyn-2-one is 26059-43-8. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C7H10O and molecular weight is 110.1537. What's more, its IUPAC name is Hept-3-yn-2-one. 

Physical properties about 3-Heptyn-2-one are: (1)ACD/LogP: 2.05; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.14; (6)ACD/BCF (pH 7.4): 21.14; (7)ACD/KOC (pH 5.5): 309.14; (8)ACD/KOC (pH 7.4): 309.14; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Ä2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 32.51 cm3; (15)Molar Volume: 124.5 cm3; (16)Polarizability: 12.88×10-24cm3; (17)Surface Tension: 31 dyne/cm; (18)Density: 0.884 g/cm3; (19)Flash Point: 50.5 °C; (20)Enthalpy of Vaporization: 39.11 kJ/mol; (21)Boiling Point: 154.3 °C at 760 mmHg; (22)Vapour Pressure: 3.19 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C#CCCC)C
(2) InChI: InChI=1/C7H10O/c1-3-4-5-6-7(2)8/h3-4H2,1-2H3
(3) InChIKey: KVCFELYYDWVHQI-UHFFFAOYAN

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