| Identification | |
| Name: | Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid, 10-hydroxy-6-nitro- |
| Synonyms: | Aristolochicacid C (6CI);Aristolochic acid IIIa; |
| CAS: | 4849-90-5 |
| Molecular Formula: | C16H9NO7 |
| Molecular Weight: | 327.2452 |
| InChI: | InChI=1/C16H9NO7/c18-8-2-1-7-3-11(17(21)22)13-10(16(19)20)5-12-15(24-6-23-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,19,20) |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 287-292ºC |
| Density: | 1.707 g/cm3 |
| Refractive index: | 1.82 |
| Appearance: | White powder |
| Specification: |
The Aristolochic acid C with the CAS number 4849-90-5 is also called Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid, 10-hydroxy-6-nitro-. The systematic name is 10-hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid. Its molecular formula is C16H9NO7. This chemical is isolated from Aristolochia contorta. The properties of the chemical are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.87; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 99.81Å2; (12)Index of Refraction: 1.82; (13)Molar Refractivity: 83.45 cm3; (14)Molar Volume: 191.6 cm3; (15)Polarizability: 33.08×10-24cm3; (16)Surface Tension: 97.9 dyne/cm; (17)Enthalpy of Vaporization: 101.87 kJ/mol; (18)Vapour Pressure: 3.02×10-18 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Safety Data | |
 |
|
