CAS No.74513-16-9,TETRAHYDROPENTALENE-2,5-DIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	74513-16-9
Name:	TETRAHYDROPENTALENE-2,5-DIONE
Article Data:	3

Formula:	C₈H₁₀O₂
Molecular Weight:	138.1638
Synonyms:	Bicyclo[3.3.0]octane-3,7-dione;NSC 139193;Tetrahydropentalene-2,5(1H,3H)-dione;2,5(1H,3H)-pentalenedione, tetrahydro-, cis-;cis-bicyclo[3.3.0]octane-3,7-dione;cis-Tetrahydropentalene-2,5(1H,3H)-dione;
EINECS:	257-357-2
Density:	1.191 g/cm³
Boiling Point:	268.3 °C at 760 mmHg
Flash Point:	99.4 °C
PSA:	34.14000
LogP:	0.94460

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Specification

The 2,5(1H,3H)-Pentalenedione,tetrahydro-, with the CAS registry number 74513-16-9, has the systematic name of tetrahydropentalene-2,5(1H,3H)-dione. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₁₀O₂.

The characteristics of 2,5(1H,3H)-Pentalenedione,tetrahydro- are as followings: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.85; (4)ACD/LogD (pH 7.4): -0.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.25; (8)ACD/KOC (pH 7.4): 8.25; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 35.2 cm³; (15)Molar Volume: 115.9 cm³; (16)Polarizability: 13.95×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.191 g/cm³; (19)Flash Point: 99.4 °C; (20)Enthalpy of Vaporization: 50.63 kJ/mol; (21)Boiling Point: 268.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00776 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1CC2CC(=O)CC2C1
(2)InChI: InChI=1/C8H10O2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-6H,1-4H2
(3)InChIKey: HAFQHNGZPQYKFF-UHFFFAOYAJ