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Basic Information
CAS No.: 76646-42-9
Name: 3-HYDROXYMETHYL-4-METHOXY-BENZALDEHYDE
Article Data: 3
Molecular Structure:
Molecular Structure of 76646-42-9 (3-HYDROXYMETHYL-4-METHOXY-BENZALDEHYDE)
Formula: C9H10O3
Molecular Weight: 166.177
Synonyms: Anisaldehyde,3-(hydroxymethyl)- (4CI);
Density: 1.196 g/cm3
Boiling Point: 326.6 °C at 760 mmHg
Flash Point: 134.1 °C
Hazard Symbols: IrritantXi
PSA: 46.53000
LogP: 1.00000
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Specification

The Benzaldehyde,3-(hydroxymethyl)-4-methoxy- is an organic compound with the formula C9H10O3. Its CAS registry number is 76646-42-9. The IUPAC name of this chemical is 3-(Hydroxymethyl)-4-methoxybenzaldehyde. In addition, the molecular weight is 166.17. This chemical is irritanting and may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzaldehyde,3-(hydroxymethyl)-4-methoxy- are: (1)ACD/LogP: 0.52; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 46.13 cm3; (9)Molar Volume: 138.9 cm3; (10)Polarizability: 18.28×10-24 cm3; (11)Surface Tension: 46.3 dyne/cm; (12)Density: 1.196 g/cm3; (13)Flash Point: 134.1 °C; (14)Enthalpy of Vaporization: 60.05 kJ/mol; (15)Boiling Point: 326.6 °C at 760 mmHg; (16)Vapour Pressure: 8.66E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(OC)c(c1)CO
(2) InChI: InChI=1/C9H10O3/c1-12-9-3-2-7(5-10)4-8(9)6-11/h2-5,11H,6H2,1H3
(3) InChIKey: SQNWBFUAFUQJNU-UHFFFAOYAZ