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Cyclobutanecarboxaldehyde

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Name

Cyclobutanecarboxaldehyde

EINECS N/A
CAS No. 2987-17-9 Density 1.085 g/cm3
PSA 17.07000 LogP 0.98540
Solubility N/A Melting Point N/A
Formula C5H8O Boiling Point 105.412 °C at 760 mmHg
Molecular Weight 84.1179 Flash Point 22.844 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2987-17-9 (Cyclobutanecarboxaldehyde) Hazard Symbols N/A
Synonyms

Cyclobutanaldehyde;Formylcyclobutane;

Article Data 2

Cyclobutanecarboxaldehyde Specification

The CAS register number of Cyclobutanecarboxaldehyde is 2987-17-9. It also can be called as Cyclobutylcarboxaldehyde and the IUPAC name about this chemical is cyclobutanecarbaldehyde. The molecular formula about this chemical is C5H8O and the molecular weight is 84.12. It belongs to the API intermediates.

Physical properties about Cyclobutanecarboxaldehyde are: (1)ACD/LogP: 0.81; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 63; (7)ACD/KOC (pH 7.4): 63; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.07Å2; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 25.056 cm3; (14)Molar Volume: 77.554 cm3; (15)Polarizability: 9.933x10-24cm3; (16)Surface Tension: 39.989 dyne/cm; (17)Enthalpy of Vaporization: 34.438 kJ/mol; (18)Boiling Point: 105.412 °C at 760 mmHg; (19)Vapour Pressure: 29.569 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC1CCC1
(2)InChI: InChI=1/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2
(3)InChIKey: INVYSLWXPIEDIQ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2
(5)Std. InChIKey: INVYSLWXPIEDIQ-UHFFFAOYSA-N

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