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Basic Information
CAS No.: 52289-54-0
Name: 4-METHOXY-2-METHYLBENZALDEHYDE
Article Data: 26
Molecular Structure:
Molecular Structure of 52289-54-0 (4-METHOXY-2-METHYLBENZALDEHYDE)
Formula: C9H10O2
Molecular Weight: 150.177
Synonyms: 2-Methyl-4-methoxybenzaldehyde;
Density: 1.062 g/cm3
Boiling Point: 264.1 °C at 760 mmHg
Flash Point: 118.9 °C
PSA: 26.30000
LogP: 1.81610
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Specification

This chemical has the IUPAC name 4-Methoxy-2-methyl-benzaldehyde. With CAS registry number 52289-54-0, it's also named as 2-Methyl-p-anisaldehyde. It belongs to the product category Aromatic Aldehydes & Derivatives (substituted). It has the molecular formula C9H10O2. Besides, this chemical should be sealed in the cool and dry place.

Physical properties of 4-Methoxy-2-methyl-benzaldehyde: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.542; (8)Molar Refractivity: 44.5 cm3; (9)Molar Volume: 141.3 cm3; (10)Polarizability: 17.64×10-24cm3; (11)Surface Tension: 36.1 dyne/cm; (12)Density: 1.062 g/cm3; (13)Flash Point: 118.9 °C; (14)Enthalpy of Vaporization: 50.2 kJ/mol; (15)Boiling Point: 264.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00987 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(cc(OC)cc1)C
(2)InChI: InChI=1/C9H10O2/c1-7-5-9(11-2)4-3-8(7)6-10/h3-6H,1-2H3
(3)InChIKey: WICYVKGMEJSDAO-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H10O2/c1-7-5-9(11-2)4-3-8(7)6-10/h3-6H,1-2H3
(5)Std. InChIKey: WICYVKGMEJSDAO-UHFFFAOYSA-N