1,3-Benzenedicarboxylicacid, 5-(acetylamino)- (6344-50-9)

The IUPAC name of 5-(Acetylamino)isophthalic acid is 5-acetamidobenzene-1,3-dicarboxylic acid. With the CAS registry number 6344-50-9, it is also named as 1,3-Benzenedicarboxylicacid, 5-(acetylamino)-. The product's molecular formula is C₁₀H₉NO₅ and its molecular weight is 223.18. 

The other characteristics of 5-(Acetylamino)isophthalic acid can be summarized as: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 6; (8)H bond donors: 3; (9)Freely Rotating Bonds: 3; (10)Polar Surface Area: 103.7 Å²; (11)Index of Refraction: 1.659; (12)Molar Refractivity: 54.385 cm³; (13)Molar Volume: 147.575 cm³; (14)Polarizability: 21.56×10^-24cm³; (15)Surface Tension: 75.679 dyne/cm; (16)Density: 1.512 g/cm³; (17)Flash Point: 299.231 °C; (18)Enthalpy of Vaporization: 90.105 kJ/mol; (19)Boiling Point: 571.167 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O
(2)InChI:InChI=1/C10H9NO5/c1-5(12)11-8-3-6(9(13)14)2-7(4-8)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)
(3)InChIKey:KQQYZSYKZQESPQ-UHFFFAOYAM
(4)Std. InChI:InChI=1S/C10H9NO5/c1-5(12)11-8-3-6(9(13)14)2-7(4-8)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)
(5)Std. InChIKey:KQQYZSYKZQESPQ-UHFFFAOYSA-N