2,3,3a,5,6,6a-Hexahydropentalene-1,4-dione supplier

Name
hexahydropentalene-1,4-dione
EINECS
CAS No. 77483-80-8
Article Data5
CAS DataBase
Density 1.191 g/cm³
Solubility
Melting Point
Formula C₈H₁₀O₂
Boiling Point 268.3 °C at 760 mmHg
Molecular Weight 138.166
Flash Point 99.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
LogP

2,3,3a,5,6,6a-Hexahydropentalene-1,4-dione Specification

The CAS registry number of 2,3,3a,5,6,6a-Hexahydropentalene-1,4-dione is 77483-80-8. This chemical is also known as Perhydropentalene-1,4-dione. Its molecular formula is C₈H₁₀O₂ and molecular weight is 138.1638. Its IUPAC name is called 2,3,3a,5,6,6a-hexahydropentalene-1,4-dione.

Physical properties about this chemical are: (1)ACD/LogP: -0.67; (2)# of Rule of 5: Violations0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Index of Refraction: 1.519; (7)Molar Refractivity: 35.2 cm³; (8)Molar Volume: 115.9 cm³; (9)Surface Tension: 43.4 dyne/cm; (10)Density: 1.191 g/cm³; (11)Flash Point: 99.4 °C; (12) Enthalpy of Vaporization: 50.63 kJ/mol; (13)Boiling Point: 268.3 °C at 760 mmHg; (14)Vapour Pressure: 0.00776 mmHg at 25°C; (15)Undefined Atom StereoCenter Count: 2; (16)Covalently-Bonded Unit Count: 1; (17)Complexity: 173; (18)Heavy Atom Count: 10; (19)Rotatable Bond Count: 0; (20)Tautomer Count: 6; (21)Exact Mass: 138.06808.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCC2C(=O)CCC12
(2)InChI: InChI=1/C8H10O2/c9-7-3-1-5-6(7)2-4-8(5)10/h5-6H,1-4H2
(3)InChIKey: CRNNTLZNPCCYDD-UHFFFAOYAR

Product Name

hexahydropentalene-1,4-dione

2,3,3a,5,6,6a-Hexahydropentalene-1,4-dione Specification

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