4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid

C8H6O5 — CID 40637844

IUPAC4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
SMILESO=C(O)C(O)=CC(=O)c1ccco1
InChIInChI=1S/C8H6O5/c9-5(4-6(10)8(11)12)7-2-1-3-13-7/h1-4,10H,(H,11,12)
InChIKeyWERKCHLFSAEFDA-UHFFFAOYSA-N
MW182.13 g/mol
LogP0.99
Rot. Bonds3

About 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid

4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid (PubChem CID 40637844) has the molecular formula C8H6O5 and a molecular weight of 182.13 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
PubChem CID40637844
Molecular FormulaC8H6O5
Molecular Weight182.13 g/mol
Exact Mass182.02
IUPAC Name4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
SMILESO=C(O)C(O)=CC(=O)c1ccco1
InChIInChI=1S/C8H6O5/c9-5(4-6(10)8(11)12)7-2-1-3-13-7/h1-4,10H,(H,11,12)
InChIKeyWERKCHLFSAEFDA-UHFFFAOYSA-N
XLogP0.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
CID 68590353
(Z)-1-(furan-2-yl)-3-methylsulfanyl-4-phenylbut-2-en-1-one
CID 10879770
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;silver
CID 87285311
bis(furan-2-carbothioic S-acid);hydrochloride
CID 122655797
furan-2-carboxylic acid;methanol
CID 70611195
furan-2-carboxylic acid;methanamine
CID 82372767
(2Z)-2-(furan-2-yl)-2-hydroxyiminoacetic acid
CID 14556124
(Z)-3-(1,5-dimethylpyrazol-3-yl)-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
CID 139178701
(Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 134849512
furan-2-yl(phosphanyl)methanone
CID 151549332

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid?
The IUPAC name of 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid (CID 40637844) is 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid.
What is the SMILES notation for 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid?
The canonical SMILES for 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid is O=C(O)C(O)=CC(=O)c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid?
The InChIKey is WERKCHLFSAEFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O5/c9-5(4-6(10)8(11)12)7-2-1-3-13-7/h1-4,10H,(H,11,12).
What are the key properties of 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid?
4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid has a molecular weight of 182.13 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 40637844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).