InChI: | InChI=1/C10H10N2O6/c13-2-1-11-9(14)6-3-7(10(15)16)5-8(4-6)12(17)18/h3-5,13H,1-2H2,(H,11,14)(H,15,16) |
Specification: |
The 3-[[(2-Hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid , with the CAS register number 22871-56-3, is also known to us as the Isophthalamicacid, N-(2-hydroxyethyl)-5-nitro- (8CI) , 5-Nitro-(N-b-hydroxyethyl)isophthalic acid monoamide , and so on.
Properties of this kind of chemical: (1)#H bond acceptors: 8 ; (2)#H bond donors: 3 ; (3)#Freely Rotating Bonds: 6 ; (4)Polar Surface Area: 101.66 ; (5)Index of Refraction: 1.625 ; (6)Molar Refractivity: 59.51 cm3 ; (7)Molar Volume: 168.1 cm3 ; (8)Polarizability: 23.59×10-24cm3 ; (9)Surface Tension: 74.7 dyne/cm ; (10)Density: 1.511 g/cm3 ; (11)Flash Point: 264.9 °C ; (12)Enthalpy of Vaporization: 82.77 kJ/mol ; (13)Boiling Point: 514.5 °C at 760 mmHg ; (14)Vapour Pressure: 2.08E-11 mmHg at 25°C.
If you need the molecular structure, you could find by converting the following data information:
SMILES:
O=[N+]([O-])c1cc(cc(C(=O)O)c1)C(=O)NCCO
InChI:
InChI=1/C10H10N2O6/c13-2-1-11-9(14)6-3-7(10(15)16)5-8(4-6)12(17)18/h3-5,13H,1-2H2,(H,11,14)(H,15,16)
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