ethenyl acetate;furan-2,3-dicarboxylic acid

C10H10O7 — CID 174805818

IUPACethenyl acetate;furan-2,3-dicarboxylic acid
SMILESC=COC(C)=O.O=C(O)c1ccoc1C(=O)O
InChIInChI=1S/C6H4O5.C4H6O2/c7-5(8)3-1-2-11-4(3)6(9)10;1-3-6-4(2)5/h1-2H,(H,7,8)(H,9,10);3H,1H2,2H3
InChIKeyHGNSSBJRKHOXIK-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.37
Rot. Bonds3

About ethenyl acetate;furan-2,3-dicarboxylic acid

ethenyl acetate;furan-2,3-dicarboxylic acid (PubChem CID 174805818) has the molecular formula C10H10O7 and a molecular weight of 242.18 g/mol. Its IUPAC name is ethenyl acetate;furan-2,3-dicarboxylic acid.

Molecular Properties

Compound Nameethenyl acetate;furan-2,3-dicarboxylic acid
PubChem CID174805818
Molecular FormulaC10H10O7
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Nameethenyl acetate;furan-2,3-dicarboxylic acid
SMILESC=COC(C)=O.O=C(O)c1ccoc1C(=O)O
InChIInChI=1S/C6H4O5.C4H6O2/c7-5(8)3-1-2-11-4(3)6(9)10;1-3-6-4(2)5/h1-2H,(H,7,8)(H,9,10);3H,1H2,2H3
InChIKeyHGNSSBJRKHOXIK-UHFFFAOYSA-N
XLogP1.37
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;furan-2,3-dicarboxylic acid?
The IUPAC name of ethenyl acetate;furan-2,3-dicarboxylic acid (CID 174805818) is ethenyl acetate;furan-2,3-dicarboxylic acid.
What is the SMILES notation for ethenyl acetate;furan-2,3-dicarboxylic acid?
The canonical SMILES for ethenyl acetate;furan-2,3-dicarboxylic acid is C=COC(C)=O.O=C(O)c1ccoc1C(=O)O.
What is the InChIKey of ethenyl acetate;furan-2,3-dicarboxylic acid?
The InChIKey is HGNSSBJRKHOXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O5.C4H6O2/c7-5(8)3-1-2-11-4(3)6(9)10;1-3-6-4(2)5/h1-2H,(H,7,8)(H,9,10);3H,1H2,2H3.
What are the key properties of ethenyl acetate;furan-2,3-dicarboxylic acid?
ethenyl acetate;furan-2,3-dicarboxylic acid has a molecular weight of 242.18 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;furan-2,3-dicarboxylic acid is sourced from PubChem (CID 174805818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).