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524-89-0

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Basic Information
CAS No.: 524-89-0
Name: MACULINE
Article Data: 5
Molecular Structure:
Molecular Structure of 524-89-0 (MACULINE)
Formula: C13H9 N O4
Molecular Weight: 243.219
Synonyms: Maculine(6CI); Maculin; NSC 94658
Density: 1.44g/cm3
Boiling Point: 408.7°Cat760mmHg
Flash Point: 201°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 53.72000
LogP: 2.71830
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Chemistry

Molecular Formula: C13H9NO4
Molecular Weight: 243.214860 g/mol
The Molecular Structure of  9-Methoxy-1,3-dioxolo(4,5-g)furo(2,3-b)quinoline (CAS NO.524-89-0):
Nominal Mass: 243 Da
Average Mass: 243.2149 Da
Monoisotopic Mass: 243.053158 Da 
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 0.47
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 15.96
ACD/KOC (pH 5.5): 6.03
ACD/KOC (pH 7.4): 202.82 
Polar Surface Area: 53.72Å2
Index of Refraction: 1.698
Molar Refractivity: 65.16 cm3
Molar Volume: 168.8 cm3
Surface Tension: 62.6 dyne/cm
Density: 1.44 g/cm3
Flash Point: 201 °C
Enthalpy of Vaporization: 63.51 kJ/mol
Boiling Point: 408.7 °C at 760 mmHg
Vapour Pressure: 1.62E-06 mmHg at 25°C
InChI:  InChI=1/C13H9NO4/c1-15-12-7-2-3-16-13(7)14-9-5-11-10(4-8(9)12)17-6-18-11/h2-5H,6H2,1H3
Smiles: O1COc2c1cc1nc3occc3c(c1c2)OC
 9-Methoxy-1,3-dioxolo(4,5-g)furo(2,3-b)quinoline (CAS NO.524-89-0) is classified as Mutation data.

Toxicity Data With Reference

1.    

mmo-sat 5 µg/plate

     MUREAV    Mutation Research. 227 (1989),179.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

 9-Methoxy-1,3-dioxolo(4,5-g)furo(2,3-b)quinoline (CAS NO.524-89-0) is also called as 4-27-00-06795 (Beilstein Handbook Reference) ; BRN 0255599 ; CCRIS 3577 ; Maculin ; 1,3-Dioxolo(4,5-g)furo(2,3-b)quinoline, 9-methoxy- ; Maculine .