52F

3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid

Created:	2015-07-15
Last modified:	2016-08-10

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2 entries where 52F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of 52F

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Chemical Component Summary
Name	3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoic acid
Formula	C₁₁ H₁₀ N₂ O₃
Molecular Weight	218.209
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2ccc1NC(=O)C(CCC(O)=O)=Nc1c2
SMILES	CACTVS	3.385	OC(=O)CCC1=Nc2ccccc2NC1=O
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCC1=Nc2ccccc2NC1=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C11H10N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,13,16)(H,14,15)
InChIKey	InChI	1.03	HROJWOXFEZYMGL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	151480, 5290694

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