7-Methoxy-1,3(2H,4H)-isoquinolinedione supplier

Name
7-methoxyisoquinoline-1,3(2H,4H)-dione
EINECS
CAS No. 76746-94-6
Density 1.280 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO₃
Boiling Point 425.8 °C at 760 mmHg
Molecular Weight 191.186
Flash Point 211.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3(2H,4H)-isoquinolinedione, 7-methoxy-;7-Methoxyisoquinoline-1,3(2H,4H)-dione;
PSA 58.89000
LogP 0.78360

7-Methoxy-1,3(2H,4H)-isoquinolinedione Specification

The 7-Methoxy-1,3(2H,4H)-isoquinolinedione, with the CAS registry number 76746-94-6, has the systematic name of 7-methoxyisoquinoline-1,3(2H,4H)-dione. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₉NO₃.

The characteristics of 7-Methoxy-1,3(2H,4H)-isoquinolinedione are as followings: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.67; (8)ACD/KOC (pH 7.4): 23.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 48.71 cm³; (15)Molar Volume: 149.2 cm³; (16)Polarizability: 19.31×10^-24cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 211.3 °C; (20)Enthalpy of Vaporization: 68.05 kJ/mol; (21)Boiling Point: 425.8 °C at 760 mmHg; (22)Vapour Pressure: 1.86E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2c1c(ccc(OC)c1)CC(=O)N2
(2)InChI: InChI=1/C10H9NO3/c1-14-7-3-2-6-4-9(12)11-10(13)8(6)5-7/h2-3,5H,4H2,1H3,(H,11,12,13)
(3)InChIKey: AIDXWJHKQIWYKP-UHFFFAOYAC

Product Name

7-methoxyisoquinoline-1,3(2H,4H)-dione

7-Methoxy-1,3(2H,4H)-isoquinolinedione Specification

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