(2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid

C6H4O5 — CID 90472852

IUPAC(2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid
SMILESO=C(O)/C=C1/OC(=O)C=C1O
InChIInChI=1S/C6H4O5/c7-3-1-6(10)11-4(3)2-5(8)9/h1-2,7H,(H,8,9)/b4-2+
InChIKeyKSDIHDDSRHCGSD-DUXPYHPUSA-N
MW156.09 g/mol
LogP-0.05
Rot. Bonds1

About (2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid

(2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid (PubChem CID 90472852) has the molecular formula C6H4O5 and a molecular weight of 156.09 g/mol. Its IUPAC name is (2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid
PubChem CID90472852
Molecular FormulaC6H4O5
Molecular Weight156.09 g/mol
Exact Mass156.01
IUPAC Name(2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid
SMILESO=C(O)/C=C1/OC(=O)C=C1O
InChIInChI=1S/C6H4O5/c7-3-1-6(10)11-4(3)2-5(8)9/h1-2,7H,(H,8,9)/b4-2+
InChIKeyKSDIHDDSRHCGSD-DUXPYHPUSA-N
XLogP-0.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.09
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid?
The IUPAC name of (2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid (CID 90472852) is (2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid.
What is the SMILES notation for (2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid?
The canonical SMILES for (2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid is O=C(O)/C=C1/OC(=O)C=C1O.
What is the InChIKey of (2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid?
The InChIKey is KSDIHDDSRHCGSD-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H4O5/c7-3-1-6(10)11-4(3)2-5(8)9/h1-2,7H,(H,8,9)/b4-2+.
What are the key properties of (2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid?
(2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid has a molecular weight of 156.09 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-hydroxy-5-oxofuran-2-ylidene)acetic acid is sourced from PubChem (CID 90472852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).