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25141-25-7

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Basic Information
CAS No.: 25141-25-7
Name: 2-(2,4-dinitrophenoxy)acetic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 25141-25-7 (2-(2,4-dinitrophenoxy)acetic acid)
Formula: C8H6N2O7
Molecular Weight: 242.145
Synonyms: Aceticacid, (2,4-dinitrophenoxy)- (7CI,8CI,9CI);2,4-Dinitrophenoxyacetic acid;NSC404178;Acetic acid, (2,4-dinitrophenoxy)-;STK391628;(2,4-Dinitrophenoxy)acetic acid;Acetic acid, 2-(2,4-dinitrophenoxy)-;AC1L3LSG;AC1Q1ZNA;
Density: 1.633 g/cm3
Boiling Point: 478.4 °C at 760 mmHg
Flash Point: 243.1 °C
PSA: 138.17000
LogP: 2.01280
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Specification

The Acetic acid,2-(2,4-dinitrophenoxy)- with CAS registry number of 25141-25-7 is also known as Acetic acid, (2,4-dinitrophenoxy)-. The IUPAC name is 2-(2,4-Dinitrophenoxy)acetic acid. In addition, the formula is C8H6N2O7 and the molecular weight is 242.14.

Physical properties about Acetic acid,2-(2,4-dinitrophenoxy)- are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.03; (4)ACD/LogD (pH 7.4): -2.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 127.17Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 52.21 cm3; (15)Molar Volume: 148.2 cm3; (16)Polarizability: 20.7×10-24cm3; (17)Surface Tension: 75.1 dyne/cm; (18)Density: 1.633 g/cm3; (19)Flash Point: 243.1 °C; (20)Enthalpy of Vaporization: 78.22 kJ/mol; (21)Boiling Point: 478.4 °C at 760 mmHg; (22)Vapour Pressure: 5.82E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: [O-][N+](=O)c1ccc(OCC(=O)O)c(c1)[N+]([O-])=O
2. InChI: InChI=1/C8H6N2O7/c11-8(12)4-17-7-2-1-5(9(13)14)3-6(7)10(15)16/h1-3H,4H2,(H,11,12)
3. InChIKey: OWEDBRWCJFWVFZ-UHFFFAOYAD
4. Std. InChI: InChI=1S/C8H6N2O7/c11-8(12)4-17-7-2-1-5(9(13)14)3-6(7)10(15)16/h1-3H,4H2,(H,11,12)
5. Std. InChIKey: OWEDBRWCJFWVFZ-UHFFFAOYSA-N