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Name |
Propanoic acid,2-(2-nitrophenoxy)- |
EINECS | N/A |
CAS No. | 13212-57-2 | Density | 1.377g/cm3 |
PSA | 92.35000 | LogP | 1.96990 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9NO5 | Boiling Point | 384.9 °C at 760 mmHg |
Molecular Weight | 211.174 | Flash Point | 186.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Propionicacid, 2-(o-nitrophenoxy)- (7CI,8CI);2-(2-Nitrophenoxy)propanoic acid;NSC131151; |
Article Data | 6 |
The Propanoic acid,2-(2-nitrophenoxy)-, with CAS registry number 13212-57-2, has the systematic name of 2-(2-nitrophenoxy)propanoic acid. Besides this, it is also called 2-(2-Nitro-phenoxy)-propionic acid. And the chemical formula of this chemical is C9H9NO5.
Physical properties of Propanoic acid,2-(2-nitrophenoxy)-: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 81.35 Å2; (11)Index of Refraction: 1.569; (12)Molar Refractivity: 50.26 cm3; (13)Molar Volume: 153.2 cm3; (14)Polarizability: 19.92×10-24cm3; (15)Surface Tension: 55.3 dyne/cm; (16)Density: 1.377 g/cm3; (17)Flash Point: 186.6 °C; (18)Enthalpy of Vaporization: 66.83 kJ/mol; (19)Boiling Point: 384.9 °C at 760 mmHg; (20)Vapour Pressure: 1.3E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1OC(C(=O)O)C
(2)InChI: InChI=1/C9H9NO5/c1-6(9(11)12)15-8-5-3-2-4-7(8)10(13)14/h2-6H,1H3,(H,11,12)
(3)InChIKey: MALMTWYTOBLCBT-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H9NO5/c1-6(9(11)12)15-8-5-3-2-4-7(8)10(13)14/h2-6H,1H3,(H,11,12)
(5)Std. InChIKey: MALMTWYTOBLCBT-UHFFFAOYSA-N