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| CAS No.: | 203-84-9 |
|---|---|
| Name: | 1H,3H-Naphtho[1,8-cd]pyran |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C12H10O |
| Molecular Weight: | 170.211 |
| Synonyms: | 2,1,3-peri-Naphthopyran;Naphthalan (heterocycle);1H,3H-Benzo[de]isochromene; |
| Density: | 1.185 g/cm3 |
| Boiling Point: | 340.083 °C at 760 mmHg |
| Flash Point: | 153.937 °C |
| PSA: | 9.23000 |
| LogP: | 2.87000 |
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Specification
The 1H,3H-Naphtho[1,8-cd]pyran, with the CAS registry number 203-84-9, is also known as 2,1,3-peri-Naphthopyran. This chemical's molecular formula is C12H10O and molecular weight is 170.21. What's more, its systematic name is 1H,3H-benzo[de]isochromene.
Physical properties of 1H,3H-Naphtho[1,8-cd]pyran are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)ACD/BCF (pH 5.5): 134.79; (6)ACD/BCF (pH 7.4): 134.79; (7)ACD/KOC (pH 5.5): 1164.19; (8)ACD/KOC (pH 7.4): 1164.19; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 53.26 cm3; (15)Molar Volume: 143.6 cm3; (16)Polarizability: 21.11×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.184 g/cm3; (19)Flash Point: 153.9 °C; (20)Enthalpy of Vaporization: 56.05 kJ/mol; (21)Boiling Point: 340.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000173 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O3Cc2cccc1cccc(c12)C3
(2)Std. InChI: InChI=1S/C12H10O/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11/h1-6H,7-8H2
(3)Std. InChIKey: OMRSFKWMIDIMKJ-UHFFFAOYSA-N