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| CAS No.: | 1769-84-2 |
|---|---|
| Name: | 6-methoxy-2-phenyl-tetralone |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C17H16O2 |
| Molecular Weight: | 252.313 |
| Synonyms: | 6-Methoxy-2-phenyl-1-tetralone;6-Methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one; |
| Density: | 1.142 g/cm3 |
| Melting Point: | 113-116 °C |
| Boiling Point: | 429.897 °C at 760 mmHg |
| Flash Point: | 198.152 °C |
| PSA: | 26.30000 |
| LogP: | 3.60790 |
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Specification
The cas register number of 6-Methoxy-2-phenyltetralone is 1769-84-2. It also can be called as 1(2H)-Naphthalenone,3,4-dihydro-6-methoxy-2-phenyl- and the Systematic name about this chemical is 6-methoxy-2-phenyl-3,4-dihydronaphthalen-1(2H)-one.
Physical properties about 6-Methoxy-2-phenyltetralone are: (1)ACD/LogP: 3.18; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 1467; (5)ACD/BCF (pH 7.4): 1467; (6)ACD/KOC (pH 5.5): 6428; (7)ACD/KOC (pH 7.4): 6428; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.587; (12)Molar Refractivity: 74.292 cm3; (13)Molar Volume: 220.946 cm3; (14)Polarizability: 29.452x10-24cm3; (15)Surface Tension: 43.734 dyne/cm; (16)Enthalpy of Vaporization: 68.527 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(cc(OC)cc1)CCC2c3ccccc3
(2)InChI: InChI=1/C17H16O2/c1-19-14-8-10-16-13(11-14)7-9-15(17(16)18)12-5-3-2-4-6-12/h2-6,8,10-11,15H,7,9H2,1H3
(3)InChIKey: XSTDIWNKASNIET-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C17H16O2/c1-19-14-8-10-16-13(11-14)7-9-15(17(16)18)12-5-3-2-4-6-12/h2-6,8,10-11,15H,7,9H2,1H3
(5)Std. InChIKey: XSTDIWNKASNIET-UHFFFAOYSA-N