Name: 1,5-NAPHTHYRIDINE-2-CARBOXYLICACID
SKU: 49850-62-6

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Basic Information

Molecular Structure:
CAS No.:	49850-62-6
Name:	1,5-NAPHTHYRIDINE-2-CARBOXYLICACID
Article Data:	5

Formula:	C₉H₆N₂O₂
Molecular Weight:	174.16
Synonyms:	1,8-Naphthyridin-2-butyricacid;
Density:	1.421 g/cm³
Melting Point:	>200°C
Boiling Point:	366.766 °C at 760 mmHg
Flash Point:	175.614 °C
Hazard Symbols:	Xi
PSA:	63.08000
LogP:	1.32800

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Specification

The 1,5-Naphthyridine-2-carboxylic acid, with the CAS registry number 49850-62-6, is also known as 1,8-Naphthyridin-2-butyricacid. This chemical's molecular formula is C₉H₆N₂O₂ and molecular weight is 174.16. What's more, its IUPAC name is the same with its product name. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1,5-Naphthyridine-2-carboxylic acid are: (1)ACD/LogP: 0.687; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.31; (4)ACD/LogD (pH 7.4): -2.39; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.08 Å²; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 47.208 cm³; (15)Molar Volume: 122.526 cm³; (16)Polarizability: 18.715×10^-24cm³; (17)Surface Tension: 75.798 dyne/cm; (18)Density: 1.421 g/cm³; (19)Flash Point: 175.614 °C; (20)Enthalpy of Vaporization: 64.698 kJ/mol; (21)Boiling Point: 366.766 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1ccc2ncccc2n1
(2) InChI: InChI=1S/C9H6N2O2/c12-9(13)8-4-3-6-7(11-8)2-1-5-10-6/h1-5H,(H,12,13)
(3) InChIKey: XCFUFRWRMISKRZ-UHFFFAOYSA-N