3IO

3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID

Created:	2006-03-06
Last modified:	2011-06-04

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5 entries where 3IO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	10

2D diagram of 3IO

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Chemical Component Summary
Name	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID
Systematic Name (OpenEye OEToolkits)	3-(1H-indol-3-yl)-2-oxo-propanoic acid
Formula	C₁₁ H₉ N O₃
Molecular Weight	203.194
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(=O)Cc2c1ccccc1nc2
SMILES	CACTVS	3.341	OC(=O)C(=O)Cc1c[nH]c2ccccc12
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)C(=O)Cc1c[nH]c2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
InChIKey	InChI	1.03	RSTKLPZEZYGQPY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	803
ChEMBL	CHEMBL485012
ChEBI	CHEBI:29750

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