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93-10-7

93-10-7 structural image
Product Name: Quinaldic acid
Formula: C10H7NO2
Synonyms: 2-Quinolinecarboxylic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Off-white or yellow powder; [Alfa Aesar MSDS]
Melting Point 156 °C
Solubility 14000 mg/L (at 25 °C)
Collision Cross Section 132 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Chemical Classes Nitrogen Compounds -> Quinolines

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 173.17 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 173.047678466 g/mol
Monoisotopic Mass 173.047678466 g/mol
Topological Polar Surface Area 50.2 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 205
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Quinaldic acid is a quinolinemonocarboxylic acid having the carboxy group at the 2-position. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate acid of a quinaldate.

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