6-Quinolinecarboxylicacid, 1,2-dihydro-2-oxo- supplier

Name
2-(1H)-QUINOLINENE-6-CARBOXYLIC ACID
EINECS
CAS No. 70639-78-0
Article Data4
CAS DataBase
Density 1.405 g/cm³
Solubility
Melting Point >300℃ (decomposition) (N,N-dimethylformamide )
Formula C₁₀H₇NO₃
Boiling Point 487.694 °C at 760 mmHg
Molecular Weight 189.17
Flash Point 248.748 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 70.16000
LogP 1.22630

6-Quinolinecarboxylicacid, 1,2-dihydro-2-oxo- 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^-24cm³; (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

Product Name

2-(1H)-QUINOLINENE-6-CARBOXYLIC ACID

6-Quinolinecarboxylicacid, 1,2-dihydro-2-oxo- Specification

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