5-carboxyfuran-2-olate

C5H3O4- — CID 145013315

IUPAC5-carboxyfuran-2-olate
SMILESO=C(O)c1ccc([O-])o1
InChIInChI=1S/C5H4O4/c6-4-2-1-3(9-4)5(7)8/h1-2,6H,(H,7,8)/p-1
InChIKeyJVUTYZQGCHCOPB-UHFFFAOYSA-M
MW127.07 g/mol
LogP0.05
Rot. Bonds1

About 5-carboxyfuran-2-olate

5-carboxyfuran-2-olate (PubChem CID 145013315) has the molecular formula C5H3O4- and a molecular weight of 127.07 g/mol. Its IUPAC name is 5-carboxyfuran-2-olate.

Molecular Properties

Compound Name5-carboxyfuran-2-olate
PubChem CID145013315
Molecular FormulaC5H3O4-
Molecular Weight127.07 g/mol
Exact Mass127.00
IUPAC Name5-carboxyfuran-2-olate
SMILESO=C(O)c1ccc([O-])o1
InChIInChI=1S/C5H4O4/c6-4-2-1-3(9-4)5(7)8/h1-2,6H,(H,7,8)/p-1
InChIKeyJVUTYZQGCHCOPB-UHFFFAOYSA-M
XLogP0.05
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.07
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-2,5-dicarboxylic acid;indigane
CID 174700126
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
benzene-1,4-diamine;furan-2,5-dicarboxylic acid
CID 160946255
5-(5-chlorofuran-2-carbonyl)furan-2-carboxylic acid
CID 106946887
5-methylsulfinylfuran-2-carboxylic acid
CID 63946376
bis(5-carboxyfuran-2-yl)iodanium
CID 139729150
potassium 5-carboxyfuran-2-sulfonate
CID 90486300
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
5-[(5-carboxyfuran-2-yl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123122768
5-trimethylgermylfuran-2-carboxylic acid
CID 13199575
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077

Frequently Asked Questions

What is the IUPAC name of 5-carboxyfuran-2-olate?
The IUPAC name of 5-carboxyfuran-2-olate (CID 145013315) is 5-carboxyfuran-2-olate.
What is the SMILES notation for 5-carboxyfuran-2-olate?
The canonical SMILES for 5-carboxyfuran-2-olate is O=C(O)c1ccc([O-])o1.
What is the InChIKey of 5-carboxyfuran-2-olate?
The InChIKey is JVUTYZQGCHCOPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4O4/c6-4-2-1-3(9-4)5(7)8/h1-2,6H,(H,7,8)/p-1.
What are the key properties of 5-carboxyfuran-2-olate?
5-carboxyfuran-2-olate has a molecular weight of 127.07 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carboxyfuran-2-olate is sourced from PubChem (CID 145013315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).