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CAS No.: | 6836-22-2 |
---|---|
Name: | 2-(7-Methoxynaphthalen-1-yl)acetic acid |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C13H12O3 |
Molecular Weight: | 216.236 |
Synonyms: | (7-Methoxy-1-naphthyl)aceticacid;7-Methoxy-1-naphthaleneacetic acid; |
EINECS: | 1312995-182-4 |
Density: | 1.235 g/cm3 |
Melting Point: | 153-154 °C |
Boiling Point: | 408.8 °C at 760 mmHg |
Flash Point: | 160.7 °C |
PSA: | 46.53000 |
LogP: | 2.47550 |
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The 7-Methoxy-1-naphthaleneacetic acid is an organic compound with the formula C13H12O3. The systematic name of this chemical is (7-methoxynaphthalen-1-yl)acetic acid. With the CAS registry number 6836-22-2, it is also named as 2-(7-methoxynaphthyl)acetic acid.
Physical properties about 7-Methoxy-1-naphthaleneacetic acid are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 1.45; (3)ACD/BCF (pH 5.5): 3.83; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 41.44; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.53 Å2; (11)Index of Refraction: 1.625; (12)Molar Refractivity: 61.88 cm3; (13)Molar Volume: 174.9 cm3; (14)Polarizability: 24.53×10-24cm3; (15)Surface Tension: 50.3 dyne/cm; (16)Density: 1.235 g/cm3; (17)Flash Point: 160.7 °C; (18)Enthalpy of Vaporization: 69.69 kJ/mol; (19)Boiling Point: 408.8 °C at 760 mmHg; (20)Vapour Pressure: 2.04E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)Cc1cccc2ccc(OC)cc12
(2)InChI: InChI=1/C13H12O3/c1-16-11-6-5-9-3-2-4-10(7-13(14)15)12(9)8-11/h2-6,8H,7H2,1H3,(H,14,15)
(3)InChIKey: GJPYHKXILUFWKV-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C13H12O3/c1-16-11-6-5-9-3-2-4-10(7-13(14)15)12(9)8-11/h2-6,8H,7H2,1H3,(H,14,15)
(5)Std. InChIKey: GJPYHKXILUFWKV-UHFFFAOYSA-N