Benzaldehyde,4-(1-hexyn-1-yl)- (175203-90-4)

The cas register number of 4-Hex-1-ynylbenzaldehyde is 175203-90-4. It also can be called as Benzaldehyde,4-(1-hexyn-1-yl)- and the Systematic name about this chemical is 4-hex-1-yn-1-ylbenzaldehyde.

Physical properties about 4-Hex-1-ynylbenzaldehyde are: (1)ACD/LogP: 4.14; (2)ACD/LogD (pH 5.5): 4.14; (3)ACD/LogD (pH 7.4): 4.14; (4)ACD/BCF (pH 5.5): 818.75; (5)ACD/BCF (pH 7.4): 818.75; (6)ACD/KOC (pH 5.5): 4234.82; (7)ACD/KOC (pH 7.4): 4234.82; (8)#H bond acceptors: 1 ; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 57.51 cm³; (13)Molar Volume: 185.2 cm³; (14)Polarizability: 22.79x10^-24cm³; (15)Surface Tension: 40.9 dyne/cm; (16)Enthalpy of Vaporization: 54.52 kJ/mol; (17)Vapour Pressure: 0.000852 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(C#CCCCC)cc1
(2)InChI: InChI=1/C13H14O/c1-2-3-4-5-6-12-7-9-13(11-14)10-8-12/h7-11H,2-4H2,1H3
(3)InChIKey: MDAJCLIURGBJKY-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H14O/c1-2-3-4-5-6-12-7-9-13(11-14)10-8-12/h7-11H,2-4H2,1H3
(5)Std. InChIKey: MDAJCLIURGBJKY-UHFFFAOYSA-N