The Molecular Structure of 1,3-Benzenedicarboxylicacid, 5-methyl- (CAS NO.499-49-0):

Empirical Formula: C₉H₈O₄
Molecular Weight: 180.1574
IUPAC Name: 5-methylbenzene-1,3-dicarboxylic acid
Product Categories: Carboxylic Acids;Phenyls & Phenyl-Het;Organic acids;Carboxylic Acids;Phenyls & Phenyl-Het;C9;Carbonyl Compounds
Nominal Mass: 180 Da
Average Mass: 180.1574 Da
Monoisotopic Mass: 180.042259 Da 
Index of Refraction: 1.603
Molar Refractivity: 44.93 cm³
Molar Volume: 130.7 cm³
Surface Tension: 63.5 dyne/cm
Density: 1.377 g/cm³
Flash Point: 215.1 °C
Enthalpy of Vaporization: 69.67 kJ/mol
Boiling Point: 408.7 °C at 760 mmHg
Vapour Pressure: 2.06E-07 mmHg at 25°C 
InChI
InChI=1/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
Smiles
c1c(cc(C(=O)O)cc1C(=O)O)C

Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
WGK Germany: 3
Hazard Note: Irritant

 1,3-Benzenedicarboxylicacid, 5-methyl- (CAS NO.499-49-0) is also called as 5-Methylisophthalic acid ; 5-Methyl-1,3-benzenedicarboxylic acid ; 5-Methyl-1,3-benzoic acid ; 5-Methylisophthalic acid ; 5-Methylbenzene-1,3-dicarboxylic acid ; 5-Ethyl-1,3-benzenedicarboxylicacid .