2,3-dihydrofuran-2,3-dicarboxylic acid

C6H6O5 — CID 19980672

IUPAC2,3-dihydrofuran-2,3-dicarboxylic acid
SMILESO=C(O)C1C=COC1C(=O)O
InChIInChI=1S/C6H6O5/c7-5(8)3-1-2-11-4(3)6(9)10/h1-4H,(H,7,8)(H,9,10)
InChIKeyLSTDBZMJDKOKEJ-UHFFFAOYSA-N
MW158.11 g/mol
LogP-0.32
Rot. Bonds2

About 2,3-dihydrofuran-2,3-dicarboxylic acid

2,3-dihydrofuran-2,3-dicarboxylic acid (PubChem CID 19980672) has the molecular formula C6H6O5 and a molecular weight of 158.11 g/mol. Its IUPAC name is 2,3-dihydrofuran-2,3-dicarboxylic acid.

Molecular Properties

Compound Name2,3-dihydrofuran-2,3-dicarboxylic acid
PubChem CID19980672
Molecular FormulaC6H6O5
Molecular Weight158.11 g/mol
Exact Mass158.02
IUPAC Name2,3-dihydrofuran-2,3-dicarboxylic acid
SMILESO=C(O)C1C=COC1C(=O)O
InChIInChI=1S/C6H6O5/c7-5(8)3-1-2-11-4(3)6(9)10/h1-4H,(H,7,8)(H,9,10)
InChIKeyLSTDBZMJDKOKEJ-UHFFFAOYSA-N
XLogP-0.32
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-2,3-dicarboxylic acid?
The IUPAC name of 2,3-dihydrofuran-2,3-dicarboxylic acid (CID 19980672) is 2,3-dihydrofuran-2,3-dicarboxylic acid.
What is the SMILES notation for 2,3-dihydrofuran-2,3-dicarboxylic acid?
The canonical SMILES for 2,3-dihydrofuran-2,3-dicarboxylic acid is O=C(O)C1C=COC1C(=O)O.
What is the InChIKey of 2,3-dihydrofuran-2,3-dicarboxylic acid?
The InChIKey is LSTDBZMJDKOKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5/c7-5(8)3-1-2-11-4(3)6(9)10/h1-4H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydrofuran-2,3-dicarboxylic acid?
2,3-dihydrofuran-2,3-dicarboxylic acid has a molecular weight of 158.11 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-2,3-dicarboxylic acid is sourced from PubChem (CID 19980672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).