0OB

3-(1-benzothiophen-2-yl)propanoic acid

Created:	2012-03-30
Last modified:	2024-09-27

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1 entries where 0OB is found in a polymer sequence

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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 0OB

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Chemical Component Summary
Name	3-(1-benzothiophen-2-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-(1-benzothiophen-2-yl)propanoic acid
Formula	C₁₁ H₁₀ O₂ S
Molecular Weight	206.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCc2sc1ccccc1c2
SMILES	CACTVS	3.370	OC(=O)CCc1sc2ccccc2c1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)cc(s2)CCC(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)CCc1sc2ccccc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)cc(s2)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C11H10O2S/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13)
InChIKey	InChI	1.03	KWKJBEPHOXIJJN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12713652

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