CAS No.287119-83-9,2-(2-Methyl-5-nitrophenyl)aceticacid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	287119-83-9
Name:	2-(2-Methyl-5-nitrophenyl)aceticacid
Article Data:	9

Formula:	C₉H₉NO₄
Molecular Weight:	195.175
Synonyms:	2-Methyl-5-nitrophenylaceticacid;
Density:	1.346 g/cm³
Boiling Point:	400.385 °C at 760 mmHg
Flash Point:	178.807 °C
PSA:	83.12000
LogP:	2.05350

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Specification

The Benzeneaceticacid, 2-methyl-5-nitro-, with the CAS registry number 287119-83-9, has the systematic name of (2-methyl-5-nitrophenyl)acetic acid. And the molecular formula of this chemical is C₉H₉NO₄. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Benzeneaceticacid, 2-methyl-5-nitro- are as following: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 83.12 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 48.737 cm³; (15)Molar Volume: 144.993 cm³ ; (16) Polarizability: 19.321×10^-24cm³; (17)Surface Tension: 57.227 dyne/cm; (18)Density: 1.346 g/cm³; (19)Flash Point: 178.807 °C; (20)Enthalpy of Vaporization: 68.677 kJ/mol; (21)Boiling Point: 400.385 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1cc(ccc1C)N(=O)=O
(2)InChI: InChI=1/C9H9NO4/c1-6-2-3-8(10(13)14)4-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
(3)InChIKey: JCSRJKWRJVUXSQ-UHFFFAOYAG