Molecular Structure of 3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol (CAS No.16111-07-2):

Molecular Formula: C₂₀H₂₀N₂O₄ 
Molecular Weight: 352.3838
CAS No: 16111-07-2
Systematic Name: 2-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indol]-1'(3'H)-yl)ethanol
Product Categories: Spiropyrans (Photochromic);Functional Materials;Photochromic Compounds
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 67.52 Å²
Index of Refraction: 1.68
Molar Refractivity: 97.52 cm³
Molar Volume: 257.9 cm³
Surface Tension: 66.4 dyne/cm
Density: 1.36 g/cm³
Flash Point: 280.6 °C
Enthalpy of Vaporization: 86.08 kJ/mol
Boiling Point: 540.3 °C at 760 mmHg
Vapour Pressure: 1.66E-12 mmHg at 25°C
InChI: InChI=1/C₂₀H₂₀N₂O₄/c1-19(2)16-5-3-4-6-17(16)21(11-12-23)20(19)10-9-14-13-15(22(24)25)7-8-18(14)26-20/h3-10,13,23H,11-12H2,1-2H3
InChIKey: FGJPKPQMQFZPJY-UHFFFAOYAN
Std. InChI: InChI=1S/C₂₀H₂₀N₂O₄/c1-19(2)16-5-3-4-6-17(16)21(11-12-23)20(19)10-9-14-13-15(22(24)25)7-8-18(14)26-20/h3-10,13,23H,11-12H2,1-2H3
Std. InChIKey: FGJPKPQMQFZPJY-UHFFFAOYSA-N

  3',3'-Dimethyl-6-nitro-spiro[2H-1-benzopyran-2,2'-indoline]-1'-ethanol (CAS No.16111-07-2), its synonyms are 2-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indol]-1'(3'H)-yl)ethanol ; Spiro[2H-1-benzopyran-2,2'-[2H]indole]-1'(3'H)-ethanol, 3',3'-dimethyl-6-nitro- ; 1-(2-Hydroxyethyl)-3,3-dimethylindolino-6'-nitrobenzopyrylospiran ; 3',3'-Dimethyl-1'-(-hydroxyethyl)-6-nitrospiro2H-1-benzopyran-2,2'-indoline .