1,4:5,8-Dimethanonaphthalene-9,10-dione,decahydro-, (1a,4a,4aa,5a,8a,8aa)- (9CI) supplier

Name
decahydro-1,4:5,8-dimethanonaphthalene-9,10-dione
EINECS
CAS No. 131213-98-4
Density 1.277g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄O₂
Boiling Point 342.6 °C at 760 mmHg
Molecular Weight 190.242
Flash Point 128.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4:5,8-Dimethanonaphthalene-9,10-dione,decahydro-, (1a,4a,4aa,5a,8a,8aa)-(?à)-;
PSA 34.14000
LogP 1.43660

1,4:5,8-Dimethanonaphthalene-9,10-dione,decahydro-, (1a,4a,4aa,5a,8a,8aa)- (9CI) Specification

The 1,4:5,8-Dimethanonaphthalene-9,10-dione,decahydro-, (1a,4a,4aa,5a,8a,8aa)- (9CI), with CAS registry number 131213-98-4, has the systematic name of decahydro-1,4:5,8-dimethanonaphthalene-9,10-dione. Its molecular weight is 190.2384. And the chemical formula of this chemical is C₁₂H₁₄O₂.

Physical properties of 1,4:5,8-Dimethanonaphthalene-9,10-dione,decahydro-, (1a,4a,4aa,5a,8a,8aa)- (9CI): (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.51; (8)ACD/KOC (pH 7.4): 23.51; (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: 1.582; (14)Molar Refractivity: 49.75 cm³; (15)Molar Volume: 148.9 cm³; (16)Polarizability: 19.72×10^-24cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.277 g/cm³; (19)Flash Point: 128.5 °C; (20)Enthalpy of Vaporization: 58.64 kJ/mol; (21)Boiling Point: 342.6 °C at 760 mmHg; (22)Vapour Pressure: 7.44E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C3CCC1C4C2C(=O)C(CC2)C34
(2)InChI: InChI=1/C12H14O2/c13-11-5-1-2-6(11)10-8-4-3-7(9(5)10)12(8)14/h5-10H,1-4H2
(3)InChIKey: JZWOVBRVOSPPFJ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H14O2/c13-11-5-1-2-6(11)10-8-4-3-7(9(5)10)12(8)14/h5-10H,1-4H2
(5)Std. InChIKey: JZWOVBRVOSPPFJ-UHFFFAOYSA-N

Product Name

decahydro-1,4:5,8-dimethanonaphthalene-9,10-dione

1,4:5,8-Dimethanonaphthalene-9,10-dione,decahydro-, (1a,4a,4aa,5a,8a,8aa)- (9CI) Specification

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