3-(2-Nitrophenyl)propanoic acid supplier

Name
3-(2-nitrophenyl)propionic acid
EINECS 217-889-8
CAS No. 2001-32-3
Article Data25
CAS DataBase
Density 1.343 g/cm³
Solubility
Melting Point 115 °C
Formula C₉H₉NO₄
Boiling Point 353.5 °C at 760 mmHg
Molecular Weight 195.175
Flash Point 156.4 °C
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hydrocinnamicacid, o-nitro- (6CI,7CI,8CI);3-(2-Nitrophenyl)propanoic acid;3-o-Nitrophenylpropionic acid;NSC 99344;
PSA 83.12000
LogP 2.13520

3-(2-Nitrophenyl)propanoic acid Specification

The CAS register number of 3-(2-Nitrophenyl)propanoic acid is 2001-32-3. It also can be called as Benzenepropanoic acid,2-nitro- and the IUPAC name about this chemical is 3-(2-nitrophenyl)propanoic acid. The molecular formula about this chemical is C₉H₉NO₄and the molecular weight is 195.17.

Physical properties about 3-(2-Nitrophenyl)propanoic acid are: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): 0.5; (3)ACD/LogD (pH 7.4): -1.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.44; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 72.12Å²; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 48.54 cm³; (14)Molar Volume: 145.2 cm³; (15)Polarizability: 19.24x10^-24cm³; (16)Surface Tension: 58 dyne/cm; (17)Enthalpy of Vaporization: 63.15 kJ/mol; (18)Boiling Point: 353.5 °C at 760 mmHg; (19)Vapour Pressure: 1.31E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1CCC(=O)O
(2)InChI: InChI=1/C9H9NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)
(3)InChIKey: OARKUZWAGHQLSL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H9NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)
(5)Std. InChIKey: OARKUZWAGHQLSL-UHFFFAOYSA-N

Product Name

3-(2-nitrophenyl)propionic acid

3-(2-Nitrophenyl)propanoic acid Specification

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