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CAS No.: | 54884-55-8 |
---|---|
Name: | 2-Methoxy-6-methylbenzaldehyde |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C9H10O2 |
Molecular Weight: | 150.177 |
Synonyms: | Benzaldehyde, 2-methoxy-6-methyl-; |
Density: | 1.062 g/cm3 |
Melting Point: | 40-41℃ |
Boiling Point: | 256.3 °C at 760 mmHg |
Flash Point: | 113.2 °C |
PSA: | 26.30000 |
LogP: | 1.81610 |
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The systematic name of this chemical is 2-Methoxy-6-methylbenzaldehyde. With the CAS registry number 54884-55-8, it is also known as Benzaldehyde, 2-methoxy-6-methyl-. In addition, its molecular formula is C9H10O2 and molecular weight is 150.17.
Physical properties about the 2-Methoxy-6-methylbenzaldehyde are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 26.5; (6)ACD/BCF (pH 7.4): 26.5; (7)ACD/KOC (pH 5.5): 363.43; (8)ACD/KOC (pH 7.4): 363.43; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 44.5 cm3; (15)Molar Volume: 141.3 cm3; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 1.062 g/cm3; (18)Flash Point: 113.2 °C; (19)Enthalpy of Vaporization: 49.38 kJ/mol; (20)Boiling Point: 256.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0155 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1c(cccc1OC)C
(2) InChI: InChI=1/C9H10O2/c1-7-4-3-5-9(11-2)8(7)6-10/h3-6H,1-2H3
(3) InChIKey: QLUHWZADTAIBKK-UHFFFAOYAV