MS0

(6-methoxy-1-benzofuran-3-yl)acetic acid

Created:	2010-05-25
Last modified:	2011-06-04

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2 entries where MS0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	10

2D diagram of MS0

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Chemical Component Summary
Name	(6-methoxy-1-benzofuran-3-yl)acetic acid
Systematic Name (OpenEye OEToolkits)	2-(6-methoxy-1-benzofuran-3-yl)ethanoic acid
Formula	C₁₁ H₁₀ O₄
Molecular Weight	206.195
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)Cc1c2ccc(OC)cc2oc1
SMILES	CACTVS	3.370	COc1ccc2c(CC(O)=O)coc2c1
SMILES	OpenEye OEToolkits	1.7.0	COc1ccc2c(c1)occ2CC(=O)O
Canonical SMILES	CACTVS	3.370	COc1ccc2c(CC(O)=O)coc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	COc1ccc2c(c1)occ2CC(=O)O
InChI	InChI	1.03	InChI=1S/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKey	InChI	1.03	QCXJFLREQGIACT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	736818
ChEMBL	CHEMBL1234470

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.