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| CAS No.: | 197507-59-8 |
|---|---|
| Name: | 1,6-NAPHTHYRIDINE-2-CARBOXYLIC ACID |
| Molecular Structure: | |
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|
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| Formula: | C9H6N2O2 |
| Molecular Weight: | 174.159 |
| Synonyms: | 1,6-NAPHTHYRIDINE-2-CARBOXYLIC ACID;1,6-Naphthyridine-2-Carboxylic Acid; |
| Density: | 1.421 g/cm3 |
| Melting Point: | 290 °C |
| Boiling Point: | 385.8 °C at 760 mmHg |
| Flash Point: | 187.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| Safety: | 26 |
| PSA: | 63.08000 |
| LogP: | 1.32800 |
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Specification
The IUPAC name of this chemical is 1,6-Naphthyridine-2-carboxylicacid. The CAS registry number is 197507-59-8. In addition, the molecular formula is C9H6N2O2 and the molecular weight is 174.16. It is a kind of irritating chemical and belongs to the class of Pharmacetical. And it should be stored in a cool and dry place.
Physical properties about 1,6-Naphthyridine-2-carboxylicacid are: (1)ACD/LogP: 0.27; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 52.08 Å2; (10)Index of Refraction: 1.697; (11)Molar Refractivity: 47.2 cm3; (12)Molar Volume: 122.5 cm3; (13)Polarizability: 18.71 ×10-24cm3; (14)Surface Tension: 75.7 dyne/cm; (15)Density: 1.421 g/cm3; (16)Flash Point: 187.1 °C; (17)Enthalpy of Vaporization: 66.94 kJ/mol; (18)Boiling Point: 385.8 °C at 760 mmHg; (19)Vapour Pressure: 1.21E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc2c(cc1)cncc2
(2)InChI: InChI=1/C9H6N2O2/c12-9(13)8-2-1-6-5-10-4-3-7(6)11-8/h1-5H,(H,12,13)
(3)InChIKey: OZZMWXQJCJUCEJ-UHFFFAOYAB