furan-2-carboxylic acid;furan-2,5-dicarboxylic acid

C11H8O8 — CID 158946082

IUPACfuran-2-carboxylic acid;furan-2,5-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)o1.O=C(O)c1ccco1
InChIInChI=1S/C6H4O5.C5H4O3/c7-5(8)3-1-2-4(11-3)6(9)10;6-5(7)4-2-1-3-8-4/h1-2H,(H,7,8)(H,9,10);1-3H,(H,6,7)
InChIKeyJKVLJGARQOKPCN-UHFFFAOYSA-N
MW268.18 g/mol
LogP1.65
Rot. Bonds3

About furan-2-carboxylic acid;furan-2,5-dicarboxylic acid

furan-2-carboxylic acid;furan-2,5-dicarboxylic acid (PubChem CID 158946082) has the molecular formula C11H8O8 and a molecular weight of 268.18 g/mol. Its IUPAC name is furan-2-carboxylic acid;furan-2,5-dicarboxylic acid.

Molecular Properties

Compound Namefuran-2-carboxylic acid;furan-2,5-dicarboxylic acid
PubChem CID158946082
Molecular FormulaC11H8O8
Molecular Weight268.18 g/mol
Exact Mass268.02
IUPAC Namefuran-2-carboxylic acid;furan-2,5-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)o1.O=C(O)c1ccco1
InChIInChI=1S/C6H4O5.C5H4O3/c7-5(8)3-1-2-4(11-3)6(9)10;6-5(7)4-2-1-3-8-4/h1-2H,(H,7,8)(H,9,10);1-3H,(H,6,7)
InChIKeyJKVLJGARQOKPCN-UHFFFAOYSA-N
XLogP1.65
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11810844
CID 11810844
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Frequently Asked Questions

What is the IUPAC name of furan-2-carboxylic acid;furan-2,5-dicarboxylic acid?
The IUPAC name of furan-2-carboxylic acid;furan-2,5-dicarboxylic acid (CID 158946082) is furan-2-carboxylic acid;furan-2,5-dicarboxylic acid.
What is the SMILES notation for furan-2-carboxylic acid;furan-2,5-dicarboxylic acid?
The canonical SMILES for furan-2-carboxylic acid;furan-2,5-dicarboxylic acid is O=C(O)c1ccc(C(=O)O)o1.O=C(O)c1ccco1.
What is the InChIKey of furan-2-carboxylic acid;furan-2,5-dicarboxylic acid?
The InChIKey is JKVLJGARQOKPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O5.C5H4O3/c7-5(8)3-1-2-4(11-3)6(9)10;6-5(7)4-2-1-3-8-4/h1-2H,(H,7,8)(H,9,10);1-3H,(H,6,7).
What are the key properties of furan-2-carboxylic acid;furan-2,5-dicarboxylic acid?
furan-2-carboxylic acid;furan-2,5-dicarboxylic acid has a molecular weight of 268.18 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carboxylic acid;furan-2,5-dicarboxylic acid is sourced from PubChem (CID 158946082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).