0W1

1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid

Created:	2012-07-16
Last modified:	2013-06-26

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1 entries where 0W1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	9

2D diagram of 0W1

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Chemical Component Summary
Name	1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid
Formula	C₈ H₈ N₂ O₂ S
Molecular Weight	196.226
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1sc2c(c1)c(nn2C)C
SMILES	CACTVS	3.370	Cn1nc(C)c2cc(sc12)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	Cc1c2cc(sc2n(n1)C)C(=O)O
Canonical SMILES	CACTVS	3.370	Cn1nc(C)c2cc(sc12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c2cc(sc2n(n1)C)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H8N2O2S/c1-4-5-3-6(8(11)12)13-7(5)10(2)9-4/h3H,1-2H3,(H,11,12)
InChIKey	InChI	1.03	QRANSYHQSVJLHX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2776541

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