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3-Quinolinecarboxylic acid

CAT: 0926-FQ06042-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FQ06042-01Size:10 g
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CAS Number
6480-68-8
Synonyms
Quinoline-3-carboxylic acid
MDL Number
MFCD00006770
Smiles
C1=CC=C2C (=C1) C=C (C=N2) C (=O) O
Molecular Formula
C10H7NO2
Molecular Weight
173.17 g/mol
Controlled
No

Chemical Information

Quinoline-3-carboxylic acid

quinoline-3-carboxylic acid has been reported in Portulaca oleracea with data available.

CAS Number6480-68-8
PubChem CID80971
IUPAC Namequinoline-3-carboxylic acid
Molecular FormulaC10H7NO2
Molecular Weight173.17
XLogP1.7
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=C(C=N2)C(=O)O
InChI
InChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13)
InChIKey
DJXNJVFEFSWHLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinoline-3-carboxylic acid
CAS: 6480-68-8
CID: 80971
Formula: C10H7NO2
MW: 173.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.17
XLogP31.7
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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