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Name |
4(1H)-Quinolinone,1-acetyl-2,3-dihydro-6-nitro- |
EINECS | N/A |
CAS No. | 57445-27-9 | Density | 1.403g/cm3 |
PSA | 83.20000 | LogP | 2.12230 |
Solubility | N/A | Melting Point |
108-110 °C(Solv: ethanol (64-17-5)) |
Formula | C11H10N2O4 | Boiling Point | 538.5 °C at 760 mmHg |
Molecular Weight | 234.211 | Flash Point | 279.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Acetyl-6-nitro-2,3-dihydroquinolin-4(1H)-one; |
The 4(1H)-Quinolinone,1-acetyl-2,3-dihydro-6-nitro-, with the CAS registry number 57445-27-9, is also known as 1-Acetyl-2,3-dihydro-6-nitro-4(1H)-quinolinone. This chemical's molecular formula is C11H10N2O4 and molecular weight is 234.21. What's more, its systematic name is 1-Acetyl-6-nitro-2,3-dihydroquinolin-4(1H)-one.
Physical properties about 4(1H)-Quinolinone,1-acetyl-2,3-dihydro-6-nitro-: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.54; (6)ACD/BCF (pH 7.4): 4.54; (7)ACD/KOC (pH 5.5): 102.8; (8)ACD/KOC (pH 7.4): 102.8; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 83.2 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 57.87 cm3; (15)Molar Volume: 166.9 cm3; (16)Surface Tension: 60.9 dyne/cm; (17)Density: 1.403 g/cm3; (18)Flash Point: 279.5 °C; (19)Enthalpy of Vaporization: 81.57 kJ/mol; (20)Boiling Point: 538.5 °C at 760 mmHg; (21)Vapour Pressure: 1.14E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc2c(c1)C(=O)CCN2C(C)=O
(2) InChI: InChI=1/C11H10N2O4/c1-7(14)12-5-4-11(15)9-6-8(13(16)17)2-3-10(9)12/h2-3,6H,4-5H2,1H3
(3) InChIKey: OGSMJYXHZMOVED-UHFFFAOYAR