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| CAS No.: | 2001-32-3 |
|---|---|
| Name: | 3-(2-nitrophenyl)propionic acid |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C9H9NO4 |
| Molecular Weight: | 195.175 |
| Synonyms: | Hydrocinnamicacid, o-nitro- (6CI,7CI,8CI);3-(2-Nitrophenyl)propanoic acid;3-o-Nitrophenylpropionic acid;NSC 99344; |
| EINECS: | 217-889-8 |
| Density: | 1.343 g/cm3 |
| Melting Point: | 115 °C |
| Boiling Point: | 353.5 °C at 760 mmHg |
| Flash Point: | 156.4 °C |
| PSA: | 83.12000 |
| LogP: | 2.13520 |
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- Total:25 Page 1 of 1 1
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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 C9H9NO4 and 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