CAS No.4453-90-1,1,4-Dihydro-1,4-methanonaphthalene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4453-90-1
Name:	1,4-Dihydro-1,4-methanonaphthalene
Article Data:	50

Formula:	C₁₁H₁₀
Molecular Weight:	142.2
Synonyms:	1,4-Dihydro-1,4-methanonaphthalene;Benzonorbornadiene;NSC 120540;
EINECS:	224-696-2
Density:	1.108 g/cm³
Boiling Point:	220.8 °C at 760 mmHg
Flash Point:	80.8 °C
PSA:	0.00000
LogP:	2.82730

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Specification

The 1,4-Dihydro-1,4-methanonaphthalene, with CAS registry number 4453-90-1, has the systematic name of 1,4-dihydro-1,4-methanonaphthalene. Besides this, it is also called Tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene. And the chemical formula of this chemical is C₁₁H_10.What's more, its EINECS is 224-696-2.

Physical properties of 1,4-Dihydro-1,4-methanonaphthalene: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 219.4; (6)ACD/BCF (pH 7.4): 219.4; (7)ACD/KOC (pH 5.5): 1649.94; (8)ACD/KOC (pH 7.4): 1649.94; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 45.3 cm³; (15)Molar Volume: 128.3 cm³; (16)Polarizability: 17.96×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Enthalpy of Vaporization: 43.87 kJ/mol; (19)Vapour Pressure: 0.164 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1)C3/C=C\C2C3
(2)InChI: InChI=1/C11H10/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h1-6,8-9H,7H2
(3)InChIKey: IEGYXSAHRKJELM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H10/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h1-6,8-9H,7H2
(5)Std. InChIKey: IEGYXSAHRKJELM-UHFFFAOYSA-N