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Basic Information
CAS No.: 85553-52-2
Name: 3-(2-FURYL)BENZALDEHYDE
Article Data: 3
Molecular Structure:
Molecular Structure of 85553-52-2 (3-(2-FURYL)BENZALDEHYDE)
Formula: C11H8O2
Molecular Weight: 172.183
Synonyms: 3-Furfanylphenylmethanone;
Density: 1.154 g/cm3
Boiling Point: 300.7 °C at 760 mmHg
Flash Point: 98.9 °C
Hazard Symbols: Xi,Xn
Risk Codes: 22
PSA: 30.21000
LogP: 2.75910
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Specification

The Benzaldehyde, 3-(2-furanyl)-, with the CAS registry number 85553-52-2, is also known as 3-Furfanylphenylmethanone. This chemical's molecular formula is C11H8O2 and molecular weight is 172.18. What's more, its systematic name is called 3-(Furan-2-yl)benzaldehyde. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzaldehyde, 3-(2-furanyl)- are: (1) ACD/LogP: 2.87; (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: 30.21 Å2; (7) Index of Refraction: 1.583; (8) Molar Refractivity: 49.89 cm3; (9) Molar Volume: 149.1 cm3; (10) Surface Tension: 41.9 dyne/cm; (11) Density: 1.154 g/cm3; (12) Flash Point: 98.9 °C; (13) Enthalpy of Vaporization: 54.08 kJ/mol; (14) Boiling Point: 300.7 °C at 760 mmHg; (15) Vapour Pressure: 0.0011 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cccc(c1)c2occc2
(2) InChI: InChI=1/C11H8O2/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-8H
(3) InChIKey: BTAANNDAXIYWAN-UHFFFAOYAS