ethene;furan-2,3-dicarboxylic acid

C8H8O5 — CID 138685074

IUPACethene;furan-2,3-dicarboxylic acid
SMILESC=C.O=C(O)c1ccoc1C(=O)O
InChIInChI=1S/C6H4O5.C2H4/c7-5(8)3-1-2-11-4(3)6(9)10;1-2/h1-2H,(H,7,8)(H,9,10);1-2H2
InChIKeyMXRMZWBBMVACGZ-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.48
Rot. Bonds2

About ethene;furan-2,3-dicarboxylic acid

ethene;furan-2,3-dicarboxylic acid (PubChem CID 138685074) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is ethene;furan-2,3-dicarboxylic acid.

Molecular Properties

Compound Nameethene;furan-2,3-dicarboxylic acid
PubChem CID138685074
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Nameethene;furan-2,3-dicarboxylic acid
SMILESC=C.O=C(O)c1ccoc1C(=O)O
InChIInChI=1S/C6H4O5.C2H4/c7-5(8)3-1-2-11-4(3)6(9)10;1-2/h1-2H,(H,7,8)(H,9,10);1-2H2
InChIKeyMXRMZWBBMVACGZ-UHFFFAOYSA-N
XLogP1.48
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;furan-2,3-dicarboxylic acid?
The IUPAC name of ethene;furan-2,3-dicarboxylic acid (CID 138685074) is ethene;furan-2,3-dicarboxylic acid.
What is the SMILES notation for ethene;furan-2,3-dicarboxylic acid?
The canonical SMILES for ethene;furan-2,3-dicarboxylic acid is C=C.O=C(O)c1ccoc1C(=O)O.
What is the InChIKey of ethene;furan-2,3-dicarboxylic acid?
The InChIKey is MXRMZWBBMVACGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O5.C2H4/c7-5(8)3-1-2-11-4(3)6(9)10;1-2/h1-2H,(H,7,8)(H,9,10);1-2H2.
What are the key properties of ethene;furan-2,3-dicarboxylic acid?
ethene;furan-2,3-dicarboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;furan-2,3-dicarboxylic acid is sourced from PubChem (CID 138685074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).