2H-1-Benzopyran-3-carboxaldehyde, 2-phenyl-

The 2-Phenyl-2H-1-benzopyran-3-carboxaldehyde is an organic compound with the formula C₁₆H₁₂O₂. The IUPAC name of this chemical is 2-phenyl-2H-chromene-3-carbaldehyde. With the CAS registry number 57543-47-2, it is also named as 2H-1-Benzopyran-3-carboxaldehyde, 2-phenyl-. The classification code is Drug / Therapeutic Agent. 

The other characteristics of 2-Phenyl-2H-1-benzopyran-3-carboxaldehyde can be summarized as: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.11; (4)ACD/LogD (pH 7.4): 4.11; (5)ACD/BCF (pH 5.5): 785.33; (6)ACD/BCF (pH 7.4): 785.33; (7)ACD/KOC (pH 5.5): 4110.34; (8)ACD/KOC (pH 7.4): 4110.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 70.68 cm³; (14)Molar Volume: 189.3 cm³; (15)Polarizability: 28.02×10^-24 cm³; (16)Surface Tension: 55.7 dyne/cm; (17)Enthalpy of Vaporization: 66.01 kJ/mol; (18)Vapour Pressure: 7.15E-07 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 236.08373; (21)MonoIsotopic Mass: 236.08373; (22)Topological Polar Surface Area: 26.3; (23)Heavy Atom Count: 18; (24)Complexity: 328.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C\C1=C\c3c(OC1c2ccccc2)cccc3
2. InChI:InChI=1/C16H12O2/c17-11-14-10-13-8-4-5-9-15(13)18-16(14)12-6-2-1-3-7-12/h1-11,16H 
3. InChIKey:ZBKURGXVANGNSK-UHFFFAOYAO
4. Std. InChI:InChI=1S/C16H12O2/c17-11-14-10-13-8-4-5-9-15(13)18-16(14)12-6-2-1-3-7-12/h1-11,16H
5. Std. InChIKey:ZBKURGXVANGNSK-UHFFFAOYSA-N

The following are the toxicity data which has been tested.