Basic Information | Post buying leads | Suppliers |
Name |
6-Methoxyisatin |
EINECS | N/A |
CAS No. | 52351-75-4 | Density | 1.346 g/cm3 |
PSA | 55.40000 | LogP | 0.96800 |
Solubility | N/A | Melting Point |
229-230 °C(Solv: water (7732-18-5)) |
Formula | C9H7NO3 | Boiling Point | N/A |
Molecular Weight | 177.159 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Isatin,6-methoxy- (6CI);6-Methoxy-1H-indole-2,3-dione;6-Methoxyindoline-2,3-dione;6-Methoxyisatin; |
The 1H-Indole-2,3-dione,6-methoxy-, with the CAS registry number 52351-75-4, is also known as 6-methoxy-2,3-dihydro-1H-indole-2,3-dione. Its molecular formula is C9H7NO3 and its molecular weight is 165.15. Additionally, its IUPAC name is 6-methoxy-1H-indole-2,3-dione.
Other characteristics of the 1H-Indole-2,3-dione,6-methoxy- can be summarised as followings: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 2.47; (6)ACD/BCF (pH 7.4): 2.45; (7)ACD/KOC (pH 5.5): 66.4; (8)ACD/KOC (pH 7.4): 65.88; (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: 1.585; (14)Molar Refractivity: 44.1 cm3; (15)Molar Volume: 131.5 cm3; (16)Polarizability: 17.48×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.346 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2c1ccc(OC)cc1NC2=O
2.InChI: InChI=1/C9H7NO3/c1-13-5-2-3-6-7(4-5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)
3.InChIKey: MOJHIZLOKWRPIS-UHFFFAOYAB