(Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid

C10H8O9 — CID 174974334

IUPAC(Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid
SMILESO=C(O)/C=C\C(=O)O.O=C(O)c1ccoc1C(=O)O
InChIInChI=1S/C6H4O5.C4H4O4/c7-5(8)3-1-2-11-4(3)6(9)10;5-3(6)1-2-4(7)8/h1-2H,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyLBXMMSOLEHDWIW-BTJKTKAUSA-N
MW272.17 g/mol
LogP0.39
Rot. Bonds4

About (Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid

(Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid (PubChem CID 174974334) has the molecular formula C10H8O9 and a molecular weight of 272.17 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid
PubChem CID174974334
Molecular FormulaC10H8O9
Molecular Weight272.17 g/mol
Exact Mass272.02
IUPAC Name(Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid
SMILESO=C(O)/C=C\C(=O)O.O=C(O)c1ccoc1C(=O)O
InChIInChI=1S/C6H4O5.C4H4O4/c7-5(8)3-1-2-11-4(3)6(9)10;5-3(6)1-2-4(7)8/h1-2H,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyLBXMMSOLEHDWIW-BTJKTKAUSA-N
XLogP0.39
TPSA162.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid?
The IUPAC name of (Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid (CID 174974334) is (Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid.
What is the SMILES notation for (Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid?
The canonical SMILES for (Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid is O=C(O)/C=C\C(=O)O.O=C(O)c1ccoc1C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid?
The InChIKey is LBXMMSOLEHDWIW-BTJKTKAUSA-N. The full InChI is InChI=1S/C6H4O5.C4H4O4/c7-5(8)3-1-2-11-4(3)6(9)10;5-3(6)1-2-4(7)8/h1-2H,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid?
(Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid has a molecular weight of 272.17 g/mol, XLogP of 0.39, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;furan-2,3-dicarboxylic acid is sourced from PubChem (CID 174974334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).