China (Mainland)
Aristolochic acid C CAS NO.4849-90-5
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Keywords
- Aristolochic acid IIIa
- Aristolochicacid C (6CI)
- Aristolochic acid IIIa
Quick Details
- ProName: Aristolochic acid C
- CasNo: 4849-90-5
- Application: e Aristolochic acid C with the CAS num...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: e Aristolochic acid C with the CAS num...
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Superiority
e 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:
(1)SMILES: [O-][N+](=O)c1cc4c(c2c1c(C(=O)O)cc3OCOc23)cc(O)cc4
(2)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)
(3)InChIKey: NBFGYDJKTHENDP-UHFFFAOYAN
Details
e 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:
(1)SMILES: [O-][N+](=O)c1cc4c(c2c1c(C(=O)O)cc3OCOc23)cc(O)cc4
(2)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)
(3)InChIKey: NBFGYDJKTHENDP-UHFFFAOYAN