Molecular Structure of 2-Methyl-3-nitro-benzeneacetic acid (CAS NO.23876-15-5):

Systematic Name: (2-Methyl-3-nitrophenyl)acetic acid 
Molecular Formula: C₉H₉NO₄
Molecular Weight: 195.17 
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Index of Refraction: 1.587
Molar Refractivity: 48.737 cm³
Molar Volume: 144.993 cm³
Surface Tension: 57.227 dyne/cm
Density: 1.346 g/cm³
Flash Point: 168.053 °C
Melting Point: 133-135 °C
Enthalpy of Vaporization: 65.977 kJ/mol
Boiling Point: 377.643 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: Cc1c(cccc1CC(O)=O)N(=O)=O
InChI: InChI=1/C9H9NO4/c1-6-7(5-9(11)12)3-2-4-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
InChIKey: LWIOFILTAJJDLA-UHFFFAOYAH 
Product Categories: Pharmaceutical material and intermeidates; Aromatic Phenylacetic Acids and Derivatives; Medicine intermediate; Organic acids; Miscellaneous

Safety Information of 2-Methyl-3-nitro-benzeneacetic acid (CAS NO.23876-15-5):
Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
Hazard Note Irritant

 2-Methyl-3-nitro-benzeneacetic acid (CAS NO.23876-15-5), its Synonyms are 2-Methyl-3-nitrophenylacetic acid ; 2-Methyl-3-nitro phenylacetic acid ; 2-Methyl-3-nitrohenylacetic acid ; 2-Methyl-3-nitrophenyl acetic acid .