furan-2-carboxylate

C5H3O3- — CID 5460151

IUPACfuran-2-carboxylate
SMILESO=C([O-])c1ccco1
InChIInChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)/p-1
InChIKeySMNDYUVBFMFKNZ-UHFFFAOYSA-M
MW111.08 g/mol
LogP-0.36
Rot. Bonds1

About furan-2-carboxylate

furan-2-carboxylate (PubChem CID 5460151) has the molecular formula C5H3O3- and a molecular weight of 111.08 g/mol. Its IUPAC name is furan-2-carboxylate.

Molecular Properties

Compound Namefuran-2-carboxylate
PubChem CID5460151
Molecular FormulaC5H3O3-
Molecular Weight111.08 g/mol
Exact Mass111.01
IUPAC Namefuran-2-carboxylate
SMILESO=C([O-])c1ccco1
InChIInChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)/p-1
InChIKeySMNDYUVBFMFKNZ-UHFFFAOYSA-M
XLogP-0.36
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.08
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-carboxylate?
The IUPAC name of furan-2-carboxylate (CID 5460151) is furan-2-carboxylate.
What is the SMILES notation for furan-2-carboxylate?
The canonical SMILES for furan-2-carboxylate is O=C([O-])c1ccco1.
What is the InChIKey of furan-2-carboxylate?
The InChIKey is SMNDYUVBFMFKNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)/p-1.
What are the key properties of furan-2-carboxylate?
furan-2-carboxylate has a molecular weight of 111.08 g/mol, XLogP of -0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carboxylate is sourced from PubChem (CID 5460151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).