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| CAS No.: | 36112-61-5 |
|---|---|
| Name: | 6-METHOXY-1-NAPHTHOIC ACID |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C12H10O3 |
| Molecular Weight: | 202.21 |
| Synonyms: | 1-Naphthoicacid, 6-methoxy- (7CI);6-Methoxy-1-naphthalenecarboxylic acid;6-Methoxy-1-naphthoic acid;1-naphthalenecarboxylic acid, 6-methoxy-; |
| Density: | 1.263 g/cm3 |
| Boiling Point: | 403.3 °C at 760 mmHg |
| Flash Point: | 162.3 °C |
| PSA: | 46.53000 |
| LogP: | 2.54660 |
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Specification
The 1-Naphthalenecarboxylicacid, 6-methoxy-, with the CAS registry number 36112-61-5, has the systematic name of 6-methoxynaphthalene-1-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C12H10O3.
The characteristics of 1-Naphthalenecarboxylicacid, 6-methoxy- are as followings: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): -0.02; (5)ACD/BCF (pH 5.5): 1.61; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.32; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 57.7 cm3; (15)Molar Volume: 160 cm3; (16)Polarizability: 22.87×10-24cm3; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.263 g/cm3; (19)Flash Point: 162.3 °C; (20)Enthalpy of Vaporization: 69.03 kJ/mol; (21)Boiling Point: 403.3 °C at 760 mmHg; (22)Vapour Pressure: 3.14E-07 mmHg at 25°C.
Uses of 1-Naphthalenecarboxylicacid, 6-methoxy-: It can react with methyllithium to produce 1-(6-methoxy-[1]naphthyl)-ethanone. This reaction will need the menstruum diethyl ether. The reaction time is 24 hours with temperature of 0°C, and the yield is about 80%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1cccc2c1ccc(OC)c2
(2)InChI: InChI=1/C12H10O3/c1-15-9-5-6-10-8(7-9)3-2-4-11(10)12(13)14/h2-7H,1H3,(H,13,14)
(3)InChIKey: WRZAWKSSADRYTA-UHFFFAOYAM