DS7

1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid

Created:	2017-11-02
Last modified:	2018-11-07

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1 entries where DS7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	5

2D diagram of DS7

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Chemical Component Summary
Name	1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1,2,5-trimethylpyrrole-3-carboxylic acid
Formula	C₈ H₁₁ N O₂
Molecular Weight	153.178
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cn1c(c(C(O)=O)cc1C)C
SMILES	CACTVS	3.385	Cn1c(C)cc(C(O)=O)c1C
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(c(n1C)C)C(=O)O
Canonical SMILES	CACTVS	3.385	Cn1c(C)cc(C(O)=O)c1C
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(c(n1C)C)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H11NO2/c1-5-4-7(8(10)11)6(2)9(5)3/h4H,1-3H3,(H,10,11)
InChIKey	InChI	1.03	JTEBLTWGSAXWEE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	736491

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