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40359-32-8

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Basic Information
CAS No.: 40359-32-8
Name: 3-(ALLYLOXY)BENZALDEHYDE
Article Data: 36
Molecular Structure:
Molecular Structure of 40359-32-8 (3-(ALLYLOXY)BENZALDEHYDE)
Formula: C10H10O2
Molecular Weight: 162.188
Synonyms: 3-(Allyloxy)benzaldehyde;
Density: 1.058 g/cm3
Melting Point: 131-132℃
Boiling Point: 273 °C at 760 mmHg
Flash Point: 121.2 °C
PSA: 26.30000
LogP: 2.06390
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Specification

The 3-Prop-2-enoxybenzaldehyde, with the CAS registry number 40359-32-8, is also known as 3-(Allyloxy)benzaldehyde. This chemical's molecular formula is C10H10O2 and molecular weight is 162.1852. What's more, its systematic name is called 3-(Prop-2-en-1-yloxy)benzaldehyde.

Physical properties about 3-Prop-2-enoxybenzaldehyde are: (1)ACD/LogP: 2.45; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 42.93; (6)ACD/BCF (pH 7.4): 42.93; (7)ACD/KOC (pH 5.5): 513.23; (8)ACD/KOC (pH 7.4): 513.23; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 48.67 cm3; (15)Molar Volume: 153.2 cm3; (16)Polarizability: 19.29×10-24 cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.058 g/cm3; (19)Flash Point: 121.2 °C; (20)Enthalpy of Vaporization: 51.14 kJ/mol; (21)Boiling Point: 273 °C at 760 mmHg; (22)Vapour Pressure: 0.00587 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(OC/C=C)ccc1
(2) InChI: InChI=1/C10H10O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h2-5,7-8H,1,6H2
(3) InChIKey: SEDRQGRABDFZKO-UHFFFAOYAK