1,4-Benzenedicarboxylicacid, 2-methyl- (5156-01-4)

The 2-Methyl-1,4-benzenedicarboxylic acid with the CAS number 5156-01-4 is also called 1,4-Benzenedicarboxylicacid, 2-methyl-. Its molecular formula is C₉H₈O₄. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.46; (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: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.603; (12)Molar Refractivity: 44.93 cm³; (13)Molar Volume: 130.7 cm³; (14)Polarizability: 17.81×10^-24cm³; (15)Surface Tension: 63.5 dyne/cm; (16)Enthalpy of Vaporization: 67.23 kJ/mol; (17)Vapour Pressure: 1.01×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1C)C(=O)O
(2)InChI: InChI=1/C9H8O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
(3)InChIKey: UFMBOFGKHIXOTA-UHFFFAOYAP