Molecular Structure of 7-Hydroxyaristolochic acid A (CAS No.79185-75-4):
Molecular Formula: C17H11NO8
Molecular Weight: 357.2711
CAS No: 79185-75-4
H bond acceptors: 9
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 109.04 Å2
Index of Refraction: 1.776
Molar Refractivity: 90.13 cm3
Molar Volume: 215.6 cm3
Surface Tension: 87.5 dyne/cm
Density: 1.656 g/cm3
Flash Point: 355.2 °C
Enthalpy of Vaporization: 102.56 kJ/mol
Boiling Point: 663.7 °C at 760 mmHg
Vapour Pressure: 1.61E-18 mmHg at 25°C
InChI: InChI=1/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21)
InChIKey: UCLGCTLOEZZSLA-UHFFFAOYAN
Std. InChI: InChI=1S/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21)
Std. InChIKey: UCLGCTLOEZZSLA-UHFFFAOYSA-N
7-Hydroxyaristolochic acid A (CAS No.79185-75-4), its synonyms are 9-Hydroxy-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid ; phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 9-hydroxy-8-methoxy-6-nitro-
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