CAS No.20876-30-6,(4-METHOXY-2-NITRO-PHENYL)-ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20876-30-6
Name:	(4-METHOXY-2-NITRO-PHENYL)-ACETIC ACID
Article Data:	5

Formula:	C₉H₉NO₅
Molecular Weight:	211.174
Synonyms:	Aceticacid, (4-methoxy-2-nitrophenyl)- (7CI,8CI);(4-Methoxy-2-nitrophenyl)aceticacid;
Density:	1.382 g/cm³
Boiling Point:	396 °C at 760 mmHg
Flash Point:	193.3 °C
PSA:	92.35000
LogP:	1.75370

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Specification

The Benzeneaceticacid, 4-methoxy-2-nitro-, with the CAS registry number 20876-30-6, has the systematic name of (4-methoxy-2-nitrophenyl)acetic acid. And the molecular formula of this chemical is C₉H₉NO₅. It is a kind of organiccs, and should be stored in the dry and cool environment.

The physical properties of Benzeneaceticacid, 4-methoxy-2-nitro- are as following: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.57; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area :81.35 Å²; (12)Index of Refraction :1.576; (13)Molar Refractivity: 50.59 cm³; (14)Molar Volume: 152.7 cm³; (15)Polarizability: 20.05×10^-24cm³; (16)Surface Tension: 56 dyne/cm; (17)Density: 1.382 g/cm³; (18)Flash Point:193.3 °C; (19)Enthalpy of Vaporization:68.16 kJ/mol; (20)Boiling Point:396 °C at 760 mmHg; (21)Vapour Pressure:5.55E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(ccc(OC)c1)CC(=O)O
(2)InChI: InChI=1/C9H9NO5/c1-15-7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)
(3)InChIKey: XCGMUHYKYLADKO-UHFFFAOYAR