CAS No.223664-42-4,7,10-Dihydro-8-nitro-7-oxo-1,10-phenanthroline-3-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	223664-42-4
Name:	7,10-Dihydro-8-nitro-7-oxo-1,10-phenanthroline-3-carboxylic acid

Formula:	C₁₃H₇N₃O₅
Molecular Weight:	285.21
Synonyms:	Acide 8-nitro-7-oxo-7,10-dihydro-1,10-phénanthroline-3-carboxylique;8-Nitro-7-oxo-7,10-dihydro-1,10-phenanthroline-3-carboxylic acid;
Density:	1.7±0.1 g/cm³
Boiling Point:	526.1±50.0 °C at 760 mmHg
Flash Point:	272.0±30.1 °C
PSA:	128.87000
LogP:	2.20590

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Specification

The 7,10-Dihydro-8-nitro-7-oxo-1,10-phenanthroline-3-carboxylic acid, with the CAS registry number 223664-42-4, is also known as Acide 8-nitro-7-oxo-7,10-dihydro-1,10-phénanthroline-3-carboxylique. This chemical's molecular formula is C₁₃H₇N₃O₅ and molecular weight is 285.21. What's more, its systematic name is 8-Nitro-7-oxo-7,10-dihydro-1,10-phenanthroline-3-carboxylic acid.

Physical properties of 7,10-Dihydro-8-nitro-7-oxo-1,10-phenanthroline-3-carboxylic acid are: (1)ACD/LogP: 3.11±1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 5.45; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 125.11 Å²; (13)Index of Refraction: 1.773; (14)Molar Refractivity: 69.7±0.4 cm³; (15)Molar Volume: 167.3±5.0 cm³; (16)Polarizability: 27.6±0.5×10^-24cm³; (17)Surface Tension: 100.5±5.0 dyne/cm; (18)Density: 1.7±0.1 g/cm³; (19)Flash Point: 272.0±30.1 °C; (20)Enthalpy of Vaporization: 84.3±3.0 kJ/mol; (21)Boiling Point: 526.1±50.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(c3c1cc(cn3)C(=O)O)[nH]cc(c2=O)[N+](=O)[O-]
(2)Std. InChI: InChI=1S/C13H7N3O5/c17-12-8-2-1-6-3-7(13(18)19)4-14-10(6)11(8)15-5-9(12)16(20)21/h1-5H,(H,15,17)(H,18,19)
(3)Std. InChIKey: WNSJJSZSXGEBFT-UHFFFAOYSA-N