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CAS No.: | 94134-18-6 |
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Name: | 6-PROPYL-2-METHOXYLNAPHTHALINE |
Molecular Structure: | |
Formula: | C14H16O |
Molecular Weight: | 200.28 |
Synonyms: | 6-PROPYL-2-METHOXYLNAPHTHALINE;2-methoxy-6-propylnaphthalene;6-Propyl-2-Methoxy-Naphthaline;2-PROPYL-6-METHOXYNAPHTHALENE |
EINECS: | 302-785-8 |
Density: | 1.017 g/cm3 |
Melting Point: | 49-50℃ |
Boiling Point: | 317.3 °C at 760 mmHg |
Flash Point: | 124.5 °C |
PSA: | 9.23000 |
LogP: | 3.80090 |
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This product is an organic compound with the formula C14H16O. The IUPAC name of this chemical is 2-methoxy-6-propylnaphthalene. The CAS registry number is 94134-18-6 and EINECS is 302-785-8. In addition, the molecular weight is 200.2762.
The other characteristics of 2-Methoxy-6-propylnaphthalene can be summarized as: (1)ACD/LogP: 4.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.89; (4)ACD/LogD (pH 7.4): 4.89; (5)ACD/BCF (pH 5.5): 3049.42; (6)ACD/BCF (pH 7.4): 3049.42; (7)ACD/KOC (pH 5.5): 10854.2; (8)ACD/KOC (pH 7.4): 10854.2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 64.95 cm3; (15)Molar Volume: 196.8 cm3; (16)Surface Tension: 36.5 dyne/cm; (17)Enthalpy of Vaporization: 53.65 kJ/mol; (18)Vapour Pressure: 0.00072 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 200.120115; (21)MonoIsotopic Mass: 200.120115; (22)Topological Polar Surface Area: 9.2; (23)Heavy Atom Count: 15; (24)Complexity: 190.
People can use the following data to convert to the molecule structure.
1. SMILES:O(c2ccc1c(ccc(c1)CCC)c2)C
2. InChI:InChI=1/C14H16O/c1-3-4-11-5-6-13-10-14(15-2)8-7-12(13)9-11/h5-10H,3-4H2,1-2H3
3. InChIKey:DEMSTJLFNCGWTN-UHFFFAOYAD
4. Std. InChI:InChI=1S/C14H16O/c1-3-4-11-5-6-13-10-14(15-2)8-7-12(13)9-11/h5-10H,3-4H2,1-2H3
5. Std. InChIKey:DEMSTJLFNCGWTN-UHFFFAOYSA-N