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6161-65-5 2-methoxy-6-methylbenzoic acid 2-methoxy-6-methylbenzoic acid
The 2-Methoxy-6-methylbenzoic acid. with its CAS NO 6161-65-5, is a kind of liquid. It has synonyms of o-Anisicacid, 6-methyl- (6CI,7CI,8CI);2-Methoxy-6-methylbenzoic acid and NSC 118167. 2-Methoxy-6-methylbenzoic acid should be stored in shady and cool warehouse.
1. Introduction of 2-Methoxy-6-methylbenzoic acid
The 2-Methoxy-6-methylbenzoic acid. with its CAS NO 6161-65-5, is a kind of liquid. It has synonyms of o-Anisicacid, 6-methyl- (6CI,7CI,8CI);2-Methoxy-6-methylbenzoic acid NSC 118167. 2-Methoxy-6-methylbenzoic acid should be stored in shady cool warehouse.
2. Properties of 2-Methoxy-6-methylbenzoic acid
(1) ACD/LogP: 1.926 (2) ACD/LogD (pH 5.5): 0.17 (3) ACD/LogD (pH 7.4): -1.11
(4) ACD/BCF (pH 5.5): 1.00 (5) ACD/BCF (pH 7.4): 1.00
(6) ACD/KOC (pH 5.5): 4.69 (7) ACD/KOC (pH 7.4): 1.00
(8) #H bond acceptors: 3 (9) #H bond donors: 1
(10) #Freely Rotating Bonds: 2 (11) Polar Surface Area: 46.53 ?2
(12) Index of Refraction: 1.541 (13) Molar Refractivity: 44.686 cm3
(14) Molar Volume: 142.24 cm3 (15) Polarizability: 17.715 10-24cm3
(16) Surface Tension: 42.7519989013672 dyne/cm (17) Density: 1.168 g/cm3
(18) Flash Point: 119.357 °C (19) Enthalpy of Vaporization: 56.559 kJ/mol
(20) Boiling Point: 295.837 °C at 760 mmHg (21) Vapour Pressure: 0.00100000004749745 mmHg at 25°C
3. Structure descriptors of 2-Methoxy-6-methylbenzoic acid
SMILES:Cc1cccc(c1C(=O)O)OC
Std. InChI:InChI=1S/C9H10O3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
Std. InChIKey:MICCJGFEXKNBLU-UHFFFAOYSA-N
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