2-Oxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid supplier

Name
2-OXO-1,2,3,4-TETRAHYDRO-QUINOLINE-3-CARBOXYLIC ACID
EINECS
CAS No. 246867-17-4
Density 1.355 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO₃
Boiling Point 475.8 °C at 760 mmHg
Molecular Weight 191.186
Flash Point 241.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-2-keto- (2CI);2-Oxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;
PSA 66.40000
LogP 1.02000

2-Oxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid Specification

The IUPAC name of 2-Oxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid. With the CAS registry number 246867-17-4, it is also named as 3-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-2-oxo-. In addition, its molecular formula is C₁₀H₉NO₃ and molecular weight is 191.18.

The other characteristics of 2-Oxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid can be summarized as: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 66.4 Å²; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 48.01 cm³; (13)Molar Volume: 141 cm³; (14)Polarizability: 19.03×10^-24cm³; (15)Surface Tension: 56.1 dyne/cm; (16)Density: 1.355 g/cm³; (17)Flash Point: 241.5 °C; (18)Enthalpy of Vaporization: 77.88 kJ/mol; (19)Boiling Point: 475.8 °C at 760 mmHg; (20)Vapour Pressure: 7.38E-10 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: OC(=O)C1Cc2ccccc2NC1=O
(2)InChI: InChI=1/C10H9NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h1-4,7H,5H2,(H,11,12)(H,13,14)
(3)InChIKey: QULTWXIRPYWHGU-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H9NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h1-4,7H,5H2,(H,11,12)(H,13,14)
(5)Std. InChIKey: QULTWXIRPYWHGU-UHFFFAOYSA-N

Product Name

2-OXO-1,2,3,4-TETRAHYDRO-QUINOLINE-3-CARBOXYLIC ACID

2-Oxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid Specification

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