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CAS No.: | 3168-59-0 |
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Name: | 5-METHOXY-2-METHYL-BENZOIC ACID |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | 6-Methyl-m-anisic acid;NSC 97602;m-Anisicacid, 6-methyl- (6CI,7CI,8CI); |
Density: | 1.168 g/cm3 |
Melting Point: | 146-147℃ |
Boiling Point: | 306 °C at 760 mmHg |
Flash Point: | 124.3 °C |
PSA: | 46.53000 |
LogP: | 1.70180 |
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The CAS register number of 5-Methoxy-2-methylbenzoic acid is 3168-59-0. It also can be called as Benzoic acid, 5-methoxy-2-methyl- and the systematic name about this chemical is 5-methoxy-2-methylbenzoic acid. The molecular formula about this chemical is C9H10O3 and the molecular weight is 166.1739.
Physical properties about 5-Methoxy-2-methylbenzoic acid are: (1)ACD/LogP: 2.48; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.29; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 35.53Å2; (10)Index of Refraction: 1.54; (11)Molar Refractivity: 44.68 cm3; (12)Molar Volume: 142.2 cm3; (13)Polarizability: 17.71x10-24cm3; (14)Surface Tension: 42.7 dyne/cm; (15)Flash Point: 124.3 °C; (16)Enthalpy of Vaporization: 57.7 kJ/mol; (17)Boiling Point: 306 °C at 760 mmHg; (18)Vapour Pressure: 0.000347 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(OC)ccc1C
(2)InChI: InChI=1/C9H10O3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
(3)InChIKey: OJDIEULKBFEZGD-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H10O3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
(5)Std. InChIKey: OJDIEULKBFEZGD-UHFFFAOYSA-N