(2,3,4,5-13C4)furan-2,5-dione

C4H2O3 — CID 71309343

IUPAC(2,3,4,5-13C4)furan-2,5-dione
SMILESO=[13C]1[13CH]=[13CH][13C](=O)O1
InChIInChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i1+1,2+1,3+1,4+1
InChIKeyFPYJFEHAWHCUMM-JCDJMFQYSA-N
MW102.03 g/mol
LogP-0.37
Rot. Bonds

About (2,3,4,5-13C4)furan-2,5-dione

(2,3,4,5-13C4)furan-2,5-dione (PubChem CID 71309343) has the molecular formula C4H2O3 and a molecular weight of 102.03 g/mol. Its IUPAC name is (2,3,4,5-13C4)furan-2,5-dione.

Molecular Properties

Compound Name(2,3,4,5-13C4)furan-2,5-dione
PubChem CID71309343
Molecular FormulaC4H2O3
Molecular Weight102.03 g/mol
Exact Mass102.01
IUPAC Name(2,3,4,5-13C4)furan-2,5-dione
SMILESO=[13C]1[13CH]=[13CH][13C](=O)O1
InChIInChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i1+1,2+1,3+1,4+1
InChIKeyFPYJFEHAWHCUMM-JCDJMFQYSA-N
XLogP-0.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.03
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-13C4)furan-2,5-dione?
The IUPAC name of (2,3,4,5-13C4)furan-2,5-dione (CID 71309343) is (2,3,4,5-13C4)furan-2,5-dione.
What is the SMILES notation for (2,3,4,5-13C4)furan-2,5-dione?
The canonical SMILES for (2,3,4,5-13C4)furan-2,5-dione is O=[13C]1[13CH]=[13CH][13C](=O)O1.
What is the InChIKey of (2,3,4,5-13C4)furan-2,5-dione?
The InChIKey is FPYJFEHAWHCUMM-JCDJMFQYSA-N. The full InChI is InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i1+1,2+1,3+1,4+1.
What are the key properties of (2,3,4,5-13C4)furan-2,5-dione?
(2,3,4,5-13C4)furan-2,5-dione has a molecular weight of 102.03 g/mol, XLogP of -0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-13C4)furan-2,5-dione is sourced from PubChem (CID 71309343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).