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Name |
Benzaldehyde,3-(hydroxymethyl)-4-methoxy- |
EINECS | N/A |
CAS No. | 76646-42-9 | Density | 1.196 g/cm3 |
PSA | 46.53000 | LogP | 1.00000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10O3 | Boiling Point | 326.6 °C at 760 mmHg |
Molecular Weight | 166.177 | Flash Point | 134.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Anisaldehyde,3-(hydroxymethyl)- (4CI); |
Article Data | 3 |
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