A1EFG

2-methylfuran-3-carboxylic acid

Created:	2024-11-08
Last modified:	2025-08-27

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1 entries where A1EFG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	5

2D diagram of A1EFG

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Chemical Component Summary
Name	2-methylfuran-3-carboxylic acid
Synonyms	6947-94-0
Systematic Name (OpenEye OEToolkits)	2-methylfuran-3-carboxylic acid
Formula	C₆ H₆ O₃
Molecular Weight	126.11
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1occc1C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cco1)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1occc1C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cco1)C(=O)O
InChI	InChI	1.06	InChI=1S/C6H6O3/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
InChIKey	InChI	1.06	CFGQZVOVFIZRMN-UHFFFAOYSA-N

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.