4-Oxo-1,4-dihydroquinoline-2-carboxylic acid supplier

Name
1,4-DIHYDRO-4-OXOQUINOLINE-2-CARBOXYLIC ACID
EINECS
CAS No. 13593-94-7
Article Data5
CAS DataBase
Density 1.429 g/cm³
Solubility
Melting Point 123 °C
Formula C₁₀H₇NO₃
Boiling Point 358.4 °C at 760 mmHg
Molecular Weight 189.17
Flash Point 170.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Quinaldicacid, 1,4-dihydro-4-oxo- (7CI,8CI);1,4-Dihydro-4-oxoquinoline-2-carboxylicacid;2-Carboxy-4-quinolinone;Transtorine;
PSA 70.16000
LogP 1.22630

4-Oxo-1,4-dihydroquinoline-2-carboxylic acid Specification

The IUPAC name of 4-Oxo-1,4-dihydroquinoline-2-carboxylic acid is 4-Oxo-1H-quinoline-2-carboxylic acid. With the CAS registry number 13593-94-7, it is also named as 2-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-. The product's category is pharmaceutical intermediates. In addition, its molecular formula is C₁₀H₇NO₃and its molecular weight is 189.17.

The other characteristics of 4-Oxo-1,4-dihydroquinoline-2-carboxylic acid can be summarized as: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): -1.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.43; (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: 46.61 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 47.61 cm³; (15)Molar Volume: 132.3 cm³; (16)Polarizability: 18.87×10^-24cm³; (17)Surface Tension: 62.5 dyne/cm; (18)Density: 1.429 g/cm³; (19)Flash Point: 170.5 °C; (20)Enthalpy of Vaporization: 63.72 kJ/mol; (21)Boiling Point: 358.4 °C at 760 mmHg; (22)Vapour Pressure: 9.28E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C\2c1c(cccc1)NC(=C/2)/C(=O)O
(2)InChI:InChI=1/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
(3)InChIKey:HCZHHEIFKROPDY-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
(5)Std. InChIKey:HCZHHEIFKROPDY-UHFFFAOYSA-N

Product Name

1,4-DIHYDRO-4-OXOQUINOLINE-2-CARBOXYLIC ACID

4-Oxo-1,4-dihydroquinoline-2-carboxylic acid Specification

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