6-Octene-2,4-diynedioic acid; (E)-form, 1-Mononitrile 

AlkaPlorer ID: AK308483

Synonym: 7-Cyano-2-heptene-4,6-diynoic acid, Diatretin 2, Diatretyne II, Nudic acid B

IUPAC Name: (E)-7-cyanohept-2-en-4,6-diynoic acid

Structure

SMILES: N#CC#CC#C/C=C/C(=O)O

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InChI: InChI=1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+

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InChIKey: DMGKNZBGIHCAMP-GQCTYLIASA-N

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Properties Information

Molecule Weight: 145.11699999999996

TPSA: 61.09

MolLogP: 0.1575799999999999

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information