(3E)-4-(5-nitrofuran-2-yl)but-3-en-2-one

AlkaPlorer ID: AK319921

Synonym: None

IUPAC Name: (Z)-4-(5-nitrofuran-2-yl)but-3-en-2-one

Structure

SMILES: CC(=O)/C=C\C1=CC=C([N+](=O)[O-])O1

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InChI: InChI=1S/C8H7NO4/c1-6(10)2-3-7-4-5-8(13-7)9(11)12/h2-5H,1H3/b3-2-

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InChIKey: AYSGEAZAKMPTSE-IHWYPQMZSA-N

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Reference

PubChem CID: 5383729

NPASS: NPC309856

Properties Information

Molecule Weight: 181.147

TPSA: 73.35

MolLogP: 1.79

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information