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Quinaldic Acid

CAT: 1299-RM-Q090100-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-Q090100-03Size:50 mg
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CAS Number
93-10-7
Synonyms
2-Quinolinecarboxylic acid
Molecular Formula
C10H7NO2
Molecular Weight
173.17
Target Alternative Name
Quinaldic Acid
Product Name Synonym
2-Quinolinecarboxylic acid

Chemical Information

Quinaldic Acid

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

CAS Number93-10-7
PubChem CID7124
IUPAC Namequinoline-2-carboxylic acid
Molecular FormulaC10H7NO2
Molecular Weight173.17
XLogP1.6
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity205
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(=O)O
InChI
InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
InChIKey
LOAUVZALPPNFOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinaldic Acid
CAS: 93-10-7
CID: 7124
Formula: C10H7NO2
MW: 173.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.17
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass173.047678466
Monoisotopic Mass173.047678466
Topological Polar Surface Area50.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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