Quinoline-2,4-dicarboxylic acid

CAT: 0024-sc-331773Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-331773Size:500 mg

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CAS Number

5323-57-9

Chemical Information

Quinoline-2,4-dicarboxylic acid

CAS Number	5323-57-9
PubChem CID	220275
IUPAC Name	quinoline-2,4-dicarboxylic acid
Molecular Formula	C11H7NO4
Molecular Weight	217.18
XLogP	1.6
Topological Polar Surface Area	87.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	304

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)C(=O)O

InChI

InChI=1S/C11H7NO4/c13-10(14)7-5-9(11(15)16)12-8-4-2-1-3-6(7)8/h1-5H,(H,13,14)(H,15,16)

InChIKey

JPGZDTDZZDLVHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5323-57-9

CID: 220275

Formula: C11H7NO4

MW: 217.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.18
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	217.03750770
Monoisotopic Mass	217.03750770
Topological Polar Surface Area	87.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	304
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

Catalog	Name
sc-296174	Quinoline-2,3-dicarboxylic acid
sc-296174A	Quinoline-2,3-dicarboxylic acid
sc-291750	8-Methyl-quinoline-2,3-dicarboxylic acid
sc-291750A	8-Methyl-quinoline-2,3-dicarboxylic acid
sc-296175A	Quinoline-2,3-dicarboxylic acid diethyl ester
sc-296175	Quinoline-2,3-dicarboxylic acid diethyl ester
sc-280029	Pyridine-2,4-dicarboxylic acid
sc-291751A	8-Methyl-quinoline-2,3-dicarboxylic acid diethyl ester
sc-291751	8-Methyl-quinoline-2,3-dicarboxylic acid diethyl ester
sc-254303	2,2'-Bipyridine-4,4'-dicarboxylic acid

Catalog	Name
FQ67149-01	Quinoline 2,4-dicarboxylic acid
OR1066915-01	Quinoline-2,4-dicarboxylic acid
OR307851-01	Quinoline-2,3-dicarboxylic acid
LBA15739-01	Thiophene-2,4-dicarboxylic acid
abx184331-01	Pyridine-2,4-dicarboxylic acid
OR1041964-01	Furan-2,4-dicarboxylic acid
OR1049512-01	Thiazole-2,4-dicarboxylic acid
OR59421-01	Benzophenone-2,4'-dicarboxylic acid
OR1015199-01	Tetrahydrothiazole-2,4-Dicarboxylic Acid
264494	2,2'-Biquinoline-4,4'-dicarboxylic acid