-
Name
ARISTOLOCHIC ACID D(RG)(PLEASE CALL)
- EINECS
- CAS No. 17413-38-6
- Article Data1
- CAS DataBase
- Density 1.656 g/cm3
- Solubility
- Melting Point 262-263 °C(lit.)
- Formula C17H11NO8
- Boiling Point 689.5 °C at 760 mmHg
- Molecular Weight 357.276
- Flash Point 370.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Aristolochicacid IVa (7CI);
- PSA 131.04000
- LogP 3.56550
Aristolochic acid-D Specification
The CAS registry number of Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid, 10-hydroxy-8-methoxy-6-nitro- is 17413-38-6. The IUPAC name is 10-hydroxy-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid. In addition, the molecular formula is C17H11NO8 and the molecular weight is 357.27. It should be stored in a cool and dry place.
Physical properties about Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid, 10-hydroxy-8-methoxy-6-nitro- are: (1)ACD/LogP: 3.50; (2)#H bond acceptors: 9; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 109.04 Å2; (6)Index of Refraction: 1.776; (7)Molar Refractivity: 90.13 cm3; (8)Molar Volume: 215.6 cm3; (9)Polarizability: 35.73 ×10-24cm3; (10)Surface Tension: 87.5 dyne/cm; (11)Density: 1.656 g/cm3; (12)Flash Point: 370.8 °C; (13)Enthalpy of Vaporization: 106.14 kJ/mol; (14)Boiling Point: 689.5 °C at 760 mmHg; (15)Vapour Pressure: 5.83E-20 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)cc4OC
(2)InChI: InChI=1/C17H11NO8/c1-24-12-3-7(19)2-9-8(12)4-11(18(22)23)14-10(17(20)21)5-13-16(15(9)14)26-6-25-13/h2-5,19H,6H2,1H3,(H,20,21)
(3)InChIKey: PADIFGYTAXNCRK-UHFFFAOYAG
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