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2-Hydroxyquinoline-4-carboxylic acid

CAT: 0926-FH44004Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-FH44004Size:250 g
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CAS Number
15733-89-8
MDL Number
MFCD00023942
Smiles
C1=CC=C2C (=C1) C (=CC (=O) N2) C (=O) O
Molecular Formula
C10H7NO3
Molecular Weight
189.17 g/mol
Controlled
No

Chemical Information

2-Hydroxyquinoline-4-carboxylic acid

2-oxo-1,2-dihydroquinoline-4-carboxylic acid is a quinolinemonocarboxylic acid. It has a role as a plant metabolite. It is a conjugate acid of a 2-oxo-1,2-dihydroquinoline-4-carboxylate.

CAS Number15733-89-8
PubChem CID85076
IUPAC Name2-oxo-1H-quinoline-4-carboxylic acid
Molecular FormulaC10H7NO3
Molecular Weight189.17
XLogP0.6
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity308
SMILES
C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)
InChIKey
MFSHNFBQNVGXJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxyquinoline-4-carboxylic acid
CAS: 15733-89-8
CID: 85076
Formula: C10H7NO3
MW: 189.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.17
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass189.042593085
Monoisotopic Mass189.042593085
Topological Polar Surface Area66.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity308
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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