Pyrano[3,4-b]indol-1(3H)-one, 4,9-dihydro- supplier

Name
4,9-dihydropyrano[3,4-b]indol-1(3H)-one
EINECS
CAS No. 6250-88-0
Article Data5
CAS DataBase
Density 1.373 g/cm³
Solubility
Melting Point
Formula C₁₁H₉NO₂
Boiling Point 461.9 °C at 760 mmHg
Molecular Weight 187.198
Flash Point 233.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,9-Dihydropyrano[3,4-b]indol-1(3H)-one
PSA
LogP

Pyrano[3,4-b]indol-1(3H)-one, 4,9-dihydro- Specification

The Pyrano[3,4-b]indol-1(3H)-one, 4,9-dihydro- has CAS registry number 6250-88-0. This chemical's molecular formula is C₁₁H₉NO₂ and molecular weight is 187.19. What's more, its IUPAC name is 4,9-dihydro-3H-pyrano[3,4-b]indol-1-one.

Physical properties of Pyrano[3,4-b]indol-1(3H)-one, 4,9-dihydro- are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 31.23 Å²; (7)Index of Refraction: 1.696; (8)Molar Refractivity: 52.43 cm³; (9)Molar Volume: 136.2 cm³; (10)Polarizability: 20.78×10^-24cm³; (11)Surface Tension: 63.3 dyne/cm; (12)Density: 1.373 g/cm³; (13)Flash Point: 233.1 °C; (14)Enthalpy of Vaporization: 72.28 kJ/mol; (15)Boiling Point: 461.9 °C at 760 mmHg; (16)Vapour Pressure: 1.04E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3OCCc2c1ccccc1nc23
(2)Std. InChI: InChI=1S/C11H9NO2/c13-11-10-8(5-6-14-11)7-3-1-2-4-9(7)12-10/h1-4,12H,5-6H2
(3)Std. InChIKey: RMHNIAIULSGOBR-UHFFFAOYSA-N

Product Name

4,9-dihydropyrano[3,4-b]indol-1(3H)-one

Pyrano[3,4-b]indol-1(3H)-one, 4,9-dihydro- Specification

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