CAS No.21894-06-4,1-Hydroxy-4-(4-nitrophenoxy)-2-naphthoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21894-06-4
Name:	1-Hydroxy-4-(4-nitrophenoxy)-2-naphthoic acid

Formula:	C₁₇H₁₁NO₆
Molecular Weight:	325.277
Synonyms:	2-Naphthoicacid, 1-hydroxy-4-(p-nitrophenoxy)- (8CI);
EINECS:	244-640-0
Density:	1.499 g/cm³
Boiling Point:	526.5 °C at 760 mmHg
Flash Point:	272.2 °C
PSA:	112.58000
LogP:	4.46730

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Specification

The 1-Hydroxy-4-(4-nitrophenoxy)-2-naphthoic acid, with CAS registry number 21894-06-4, has the systematic name of 1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxylic acid. And its IUPAC name is the same one. And the chemical formula of this chemical is C₁₇H₁₁NO₆. What's more, its EINECS is 244-640-0.

Physical properties of 1-Hydroxy-4-(4-nitrophenoxy)-2-naphthoic acid: (1)ACD/LogP: 4.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 7.09; (6)ACD/BCF (pH 7.4): 2.28; (7)ACD/KOC (pH 5.5): 25.04; (8)ACD/KOC (pH 7.4): 8.05; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 90.58 Å²; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 85.89 cm³; (15)Molar Volume: 216.9 cm³; (16)Polarizability: 34.05×10^-24cm³; (17)Surface Tension: 73.3 dyne/cm; (18)Enthalpy of Vaporization: 84.3 kJ/mol; (19)Vapour Pressure: 6.53E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3ccc(Oc1cc(C(=O)O)c(O)c2c1cccc2)cc3
(2)InChI: InChI=1/C17H11NO6/c19-16-13-4-2-1-3-12(13)15(9-14(16)17(20)21)24-11-7-5-10(6-8-11)18(22)23/h1-9,19H,(H,20,21)
(3)InChIKey: DBNQZGPCPCXGCX-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C17H11NO6/c19-16-13-4-2-1-3-12(13)15(9-14(16)17(20)21)24-11-7-5-10(6-8-11)18(22)23/h1-9,19H,(H,20,21)
(5)Std. InChIKey: DBNQZGPCPCXGCX-UHFFFAOYSA-N