furan-2-carboxylic acid;methanol

C6H8O4 — CID 70611195

IUPACfuran-2-carboxylic acid;methanol
SMILESCO.O=C(O)c1ccco1
InChIInChI=1S/C5H4O3.CH4O/c6-5(7)4-2-1-3-8-4;1-2/h1-3H,(H,6,7);2H,1H3
InChIKeyAFLKEMGXVMTFMY-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.59
Rot. Bonds1

About furan-2-carboxylic acid;methanol

furan-2-carboxylic acid;methanol (PubChem CID 70611195) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is furan-2-carboxylic acid;methanol.

Molecular Properties

Compound Namefuran-2-carboxylic acid;methanol
PubChem CID70611195
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Namefuran-2-carboxylic acid;methanol
SMILESCO.O=C(O)c1ccco1
InChIInChI=1S/C5H4O3.CH4O/c6-5(7)4-2-1-3-8-4;1-2/h1-3H,(H,6,7);2H,1H3
InChIKeyAFLKEMGXVMTFMY-UHFFFAOYSA-N
XLogP0.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-carboxylic acid;methanol?
The IUPAC name of furan-2-carboxylic acid;methanol (CID 70611195) is furan-2-carboxylic acid;methanol.
What is the SMILES notation for furan-2-carboxylic acid;methanol?
The canonical SMILES for furan-2-carboxylic acid;methanol is CO.O=C(O)c1ccco1.
What is the InChIKey of furan-2-carboxylic acid;methanol?
The InChIKey is AFLKEMGXVMTFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O3.CH4O/c6-5(7)4-2-1-3-8-4;1-2/h1-3H,(H,6,7);2H,1H3.
What are the key properties of furan-2-carboxylic acid;methanol?
furan-2-carboxylic acid;methanol has a molecular weight of 144.13 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carboxylic acid;methanol is sourced from PubChem (CID 70611195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).