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CAS No.: | 6245-57-4 |
---|---|
Name: | 4-Methoxy-2-methylbenzoic acid |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | RARECHEM AL BE 0867; |
Density: | 1.168 g/cm3 |
Melting Point: | 177-181 °C(lit. ) |
Boiling Point: | 294.3 °C at 760 mmHg |
Flash Point: | 118.6 °C |
Appearance: | white to slightly cream crystalline powder |
Risk Codes: | 36/37/38 |
Safety: | 26-37 |
PSA: | 46.53000 |
LogP: | 1.70180 |
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The 4-Methoxy-2-methylbenzoic acid, with the CAS registry number of 6245-57-4, is also known as RARECHEM AL BE 0867. It belongs to the product categories of C9; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C9H10O3 and molecular weight is 166.17. In addition, it should be stored in dry, cool, airtight place.
Physical properties about 4-Methoxy-2-methylbenzoic acid are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 2.56; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.08; (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: 1.54; (14)Molar Refractivity: 44.68 cm3; (15)Molar Volume: 142.2 cm3; (16)Polarizability: 17.71×10-24 cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 118.6 °C; (20)Enthalpy of Vaporization: 56.39 kJ/mol; (21)Boiling Point: 294.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000741 mmHg at 25 °C; (23)Melting Point: 177-181 °C(lit. ).
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c(cc(OC)cc1)C
(2) InChI: InChI=1/C9H10O3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
(3) InChIKey: MSVRGYOYISBGTH-UHFFFAOYAI