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| CAS No.: | 70639-78-0 |
|---|---|
| Name: | 2-(1H)-QUINOLINENE-6-CARBOXYLIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C10H7NO3 |
| Molecular Weight: | 189.17 |
| Synonyms: | 6-Quinolinecarboxylicacid, 2-hydroxy- (7CI);2-Hydroxyquinoline-6-carboxylic acid;6-Carboxycarbostyril;2-(1H)-Quinolinene-6-carboxylic acid;2-Oxo-1,2-dihydroquinoline-6-carboxylic acid; |
| Density: | 1.405 g/cm3 |
| Melting Point: | >300℃ (decomposition) (N,N-dimethylformamide ) |
| Boiling Point: | 487.694 °C at 760 mmHg |
| Flash Point: | 248.748 °C |
| PSA: | 70.16000 |
| LogP: | 1.22630 |
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- Total:23 Page 1 of 1 1
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Specification
The 6-Quinolinecarboxylicacid, 1,2-dihydro-2-oxo-, with the CAS registry number 70639-78-0, is also known as 2-(1H)-Quinolinene-6-carboxylic acid. This chemical's molecular formula is C10H7NO3 and molecular weight is 189.17. What's more, its systematic name is 2-Oxo-1,2-dihydroquinoline-6-carboxylic acid.
Physical properties of 6-Quinolinecarboxylicacid, 1,2-dihydro-2-oxo- are: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.4 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 48.439 cm3; (15)Molar Volume: 134.616 cm3; (16)Polarizability: 19.203×10-24 cm3; (17)Surface Tension: 59.588 dyne/cm; (18)Density: 1.405 g/cm3; (19)Flash Point: 248.748 °C; (20)Enthalpy of Vaporization: 79.379 kJ/mol; (21)Boiling Point: 487.694 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc2NC(=O)\C=C/c2c1
(2)InChI: InChI=1S/C10H7NO3/c12-9-4-2-6-5-7(10(13)14)1-3-8(6)11-9/h1-5H,(H,11,12)(H,13,14)
(3)InChIKey: ZEGJLQZSCUPAPR-UHFFFAOYSA-N