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| CAS No.: | 2003-79-4 |
|---|---|
| Name: | 2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C10H7NO3 |
| Molecular Weight: | 189.17 |
| Synonyms: | 1,2-Dihydro-2-oxo-3-quinolinecarboxylicacid;2-Hydroxy-3-quinolinecarboxylic acid;2-Oxoquinoline-3-carboxylic acid;2-Quinolone-3-carboxylic acid;3-Carboxy-2-hydroxyquinoline;NSC 329342;Quinolin-2(1H)-one-3-carboxylic acid; |
| EINECS: | 674-558-4 |
| Density: | 1.429 g/cm3 |
| Melting Point: | 330-332 °C |
| Boiling Point: | 423.13 °C at 760 mmHg |
| Flash Point: | 220.4 °C |
| Appearance: | pale-yellow |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22 |
| PSA: | 70.42000 |
| LogP: | 1.63860 |
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Specification
The CAS register number of 3-Quinolinecarboxylicacid, 1,2-dihydro-2-oxo- is 2003-79-4. It also can be called as 2-Hydroxy-3-quinolinecarboxylic acid and the IUPAC name about this chemical is 2-oxo-1H-quinoline-3-carboxylic acid. The molecular formula about this chemical is C10H7NO3 and the molecular weight is 189.17. It belongs to the Pharmacetical.
Physical properties about 3-Quinolinecarboxylicacid, 1,2-dihydro-2-oxo- are: (1)ACD/LogP: 2.66; (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: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 70.42Å2; (10)Index of Refraction: 1.73; (11)Molar Refractivity: 50.998 cm3; (12)Molar Volume: 127.732 cm3; (13)Polarizability: 20.217x10-24cm3; (14)Surface Tension: 80.324 dyne/cm; (15)Flash Point: 209.702 °C; (16)Enthalpy of Vaporization: 71.414 kJ/mol; (17)Boiling Point: 423.13 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)cc(c(n2)O)C(=O)O
(2)InChI: InChI=1/C10H7NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)
(3)InChIKey: XOQQVKDBGLYPGH-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H7NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)
(5)Std. InChIKey: XOQQVKDBGLYPGH-UHFFFAOYSA-N