IUPAC Name: 3-(4-Nitrophenyl)propanoic acid
Molecular Formula: C₉H₉NO₄
Molecular Weight: 195.17 g/mol
Canonical SMILES: [N+](c1ccc(cc1)CCC(=O)O)([O-])=O
InChI: InChI=1/C9H9NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)
Product Categories: Aromatic Propionic Acids; Organic acids; API intermediates
XLogP3: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Exact Mass: 195.053158
MonoIsotopic Mass: 195.053158
Topological Polar Surface Area: 80.4
Heavy Atom Count: 14
Complexity: 215
Index of Refraction: 1.583
Molar Refractivity: 48.54 cm³
Molar Volume: 145.2 cm³
Polarizability: 19.24×10^-24 cm³
Surface Tension: 58 dyne/cm
Density: 1.343 g/cm³
Flash Point: 170.5 °C
Enthalpy of Vaporization: 66.58 kJ/mol
Boiling Point: 382.7 °C at 760 mmHg
Melting Point: 167-170 °C
Vapour Pressure of 3-(4-Nitrophenyl)propanoic acid (CAS NO.16642-79-8): 1.53E-06 mmHg at 25 °C

 Hazard Note of 3-(4-Nitrophenyl)propanoic acid (CAS NO.16642-79-8): Harmful

 3-(4-Nitrophenyl)propanoic acid (CAS NO.16642-79-8), its Synonyms are 4-Nitrobenzenepropanoic acid ; 3-(4-Nitrophenyl)propionic acid, 98.26+% ; 3-(4-Nitrophenyl)propionic .