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Imidazo[4,5,1-jk][1]benzazepine-2,7(1H,4H)-dione, 5,6-dihydro-

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Name

Imidazo[4,5,1-jk][1]benzazepine-2,7(1H,4H)-dione, 5,6-dihydro-

EINECS
CAS No. 92260-81-6 Density 1.42 g/cm3
Solubility Melting Point
Formula C11H10N2O2 Boiling Point
Molecular Weight 202.2093 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 92260-81-6 (Imidazo[4,5,1-jk][1]benzazepine-2,7(1H,4H)-dione, 5,6-dihydro-) Hazard Symbols
Synonyms

8,9-dihydro-2H,7H-2,9a-diaza-benzo[cd]azulene-1,6-dione;

 

Imidazo[4,5,1-jk][1]benzazepine-2,7(1H,4H)-dione, 5,6-dihydro- Specification

The Imidazo[4,5,1-jk][1]benzazepine-2,7(1H,4H)-dione, 5,6-dihydro-, with CAS registry number 92260-81-6, belongs to the following product category: Azulene. It has the synonyms of 5,6-Dihydroimidazo[4,5,1-jk][1]benzazepine-2,7(1H,4H)-dione. And the chemical formula of this chmical is C11H10N2O2.

Physical properties of Imidazo[4,5,1-jk][1]benzazepine-2,7(1H,4H)-dione, 5,6-dihydro-: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.81; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 49.41 Å2; (9)Index of Refraction: 1.676; (10)Molar Refractivity: 53.57 cm3; (11)Molar Volume: 142.3 cm3; (12)Polarizability: 21.23×10-24cm3; (13)Surface Tension: 66.4 dyne/cm; (14)Density: 1.42 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c3c(c1)[nH]c(=O)n3CCCC2=O
(2)InChI: InChI=1/C11H10N2O2/c14-9-5-2-6-13-10-7(9)3-1-4-8(10)12-11(13)15/h1,3-4H,2,5-6H2,(H,12,15)
(3)InChIKey: QDMYVAGJPVQRSQ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H10N2O2/c14-9-5-2-6-13-10-7(9)3-1-4-8(10)12-11(13)15/h1,3-4H,2,5-6H2,(H,12,15)
(5)Std. InChIKey: QDMYVAGJPVQRSQ-UHFFFAOYSA-N

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