7FN

2,5 Furan Dicarboxylic Acid

Created:	2016-09-23
Last modified:	2017-10-18

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2 entries where 7FN 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 7FN

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Chemical Component Summary
Name	2,5 Furan Dicarboxylic Acid
Systematic Name (OpenEye OEToolkits)	furan-2,5-dicarboxylic acid
Formula	C₆ H₄ O₅
Molecular Weight	156.093
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)c1ccc(o1)C(O)=O
SMILES	CACTVS	3.385	OC(=O)c1oc(cc1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	c1cc(oc1C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1oc(cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(oc1C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKey	InChI	1.03	CHTHALBTIRVDBM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	76720
ChEBI	CHEBI:84212
CCDC/CSD	UFALOF, UFALIZ, FURDCA01
COD	2021193, 2021192

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