furan-2-carboxylic acid

C5H4O3 — CID 6919

IUPACfuran-2-carboxylic acid
SMILESO=C(O)c1ccco1
InChIInChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKeySMNDYUVBFMFKNZ-UHFFFAOYSA-N
MW112.08 g/mol
LogP0.98
Rot. Bonds1

About furan-2-carboxylic acid

furan-2-carboxylic acid (PubChem CID 6919) has the molecular formula C5H4O3 and a molecular weight of 112.08 g/mol. Its IUPAC name is furan-2-carboxylic acid.

Molecular Properties

Compound Namefuran-2-carboxylic acid
PubChem CID6919
Molecular FormulaC5H4O3
Molecular Weight112.08 g/mol
Exact Mass112.02
IUPAC Namefuran-2-carboxylic acid
SMILESO=C(O)c1ccco1
InChIInChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKeySMNDYUVBFMFKNZ-UHFFFAOYSA-N
XLogP0.98
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.08
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of furan-2-carboxylic acid?
The IUPAC name of furan-2-carboxylic acid (CID 6919) is furan-2-carboxylic acid.
What is the SMILES notation for furan-2-carboxylic acid?
The canonical SMILES for furan-2-carboxylic acid is O=C(O)c1ccco1.
What is the InChIKey of furan-2-carboxylic acid?
The InChIKey is SMNDYUVBFMFKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7).
What are the key properties of furan-2-carboxylic acid?
furan-2-carboxylic acid has a molecular weight of 112.08 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carboxylic acid is sourced from PubChem (CID 6919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).