2-Quinolinepyruvic acid

CAT: 0926-AVA29388-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-AVA29388-01Size:250 mg

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CAS Number

500293-88-9

MDL Number

MFCD09040557

Smiles

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

Molecular Formula

C12H9NO3

Molecular Weight

215.2 g/mol

Controlled

Chemical Information

2-Oxo-3-(quinolin-2-yl)propanoic acid

CAS Number	500293-88-9
PubChem CID	257964
IUPAC Name	2-oxo-3-quinolin-2-ylpropanoic acid
Molecular Formula	C12H9NO3
Molecular Weight	215.20
XLogP	1.6
Topological Polar Surface Area	67.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	290

SMILES

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

InChI

InChI=1S/C12H9NO3/c14-11(12(15)16)7-9-6-5-8-3-1-2-4-10(8)13-9/h1-6H,7H2,(H,15,16)

InChIKey

PBCZPMGLYKFSIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 500293-88-9

CID: 257964

Formula: C12H9NO3

MW: 215.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.20
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	215.058243149
Monoisotopic Mass	215.058243149
Topological Polar Surface Area	67.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	290
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

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Catalog	Name
TRC-Q700780-2.5G	2-Quinolinepyruvic Acid
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