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Propanoic acid,2-(2-nitrophenoxy)-

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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 Molecular Structure of 13212-57-2 (2-(2-NITRO-PHENOXY)-PROPIONIC ACID) Hazard Symbols IrritantXi
Synonyms

Propionicacid, 2-(o-nitrophenoxy)- (7CI,8CI);2-(2-Nitrophenoxy)propanoic acid;NSC131151;

Article Data 6

Propanoic acid,2-(2-nitrophenoxy)- Specification

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

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