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CCMQ

CAT: 0931-T22640-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T22640-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132623-44-0
Target
Others, iGluR
Related Pathways
Membrane transporter/Ion channel, Neuroscience, Others
Bioactivity
Inhibits [3H]-homoquinolinic acid binding to non-NMDA sensitive sites
Smiles
C(O)(=O)C1=NC2=C(C=C1CC(O)=O)C=CC=C2
Molecular Formula
C12H9NO4
Molecular Weight
231.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(Carboxymethyl)quinoline-2-carboxylic acid

3-(carboxymethyl)-2-quinolinecarboxylic acid is a member of quinolines.

CAS Number132623-44-0
PubChem CID3337816
IUPAC Name3-(carboxymethyl)quinoline-2-carboxylic acid
Molecular FormulaC12H9NO4
Molecular Weight231.20
XLogP1.5
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity318
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C(=O)O)CC(=O)O
InChI
InChI=1S/C12H9NO4/c14-10(15)6-8-5-7-3-1-2-4-9(7)13-11(8)12(16)17/h1-5H,6H2,(H,14,15)(H,16,17)
InChIKey
IFXJDEHFADWURH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Carboxymethyl)quinoline-2-carboxylic acid
CAS: 132623-44-0
CID: 3337816
Formula: C12H9NO4
MW: 231.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.20
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass231.05315777
Monoisotopic Mass231.05315777
Topological Polar Surface Area87.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity318
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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