2H-CHROMENE-3-CARBALDEHYDE

The CAS register number of 2H-1-Benzopyran-3-carboxaldehyde is 51593-69-2. It also can be called as 2H-Chromene-3-carboxaldehyde and the systematic name about this chemical is 2H-chromene-3-carbaldehyde. The molecular formula about this chemical is C₁₀H₈O₂ and the molecular weight is 160.17. It belongs to the following product categorie which include Heterocyclic Compounds.

Physical properties about 2H-1-Benzopyran-3-carboxaldehyde are: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.196; (3)ACD/LogD (pH 7.4): 2.196; (4)ACD/BCF (pH 5.5): 27.475; (5)ACD/BCF (pH 7.4): 27.475; (6)ACD/KOC (pH 5.5): 372.918; (7)ACD/KOC (pH 7.4): 372.918; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.661; (12)Molar Refractivity: 46.241 cm³; (13)Molar Volume: 125.168 cm³; (14)Polarizability: 18.331x10^-24cm³; (15)Surface Tension: 58.191 dyne/cm; (16)Density: 1.28 g/cm³; (17)Flash Point: 145.387 °C; (18)Enthalpy of Vaporization: 54.052 kJ/mol; (19)Boiling Point: 300.451 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, keep the container tightly closed and sealed in dry and cool places. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C=C(CO2)C=O
(2)InChI: InChI=1/C10H8O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-6H,7H2
(3)InChIKey: RISKINCQRSLFRK-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H8O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-6H,7H2
(5)Std. InChIKey: RISKINCQRSLFRK-UHFFFAOYSA-N