6-Octene-2,4-diynedioic acid; (E)-form, 1-Monoamide
AlkaPlorer ID: AK308482
Synonym: Diatretin 1, Diatretyne I
IUPAC Name: (E)-8-amino-8-oxooct-2-en-4,6-diynoic acid
Structure
SMILES: N=C(O)C#CC#C/C=C/C(=O)O
InChI: InChI=1S/C8H5NO3/c9-7(10)5-3-1-2-4-6-8(11)12/h4,6H,(H2,9,10)(H,11,12)/b6-4+
InChIKey: OCJRAKXVNGISKJ-GQCTYLIASA-N
Source
Properties Information
Molecule Weight: 163.13199999999998
TPSA？: 81.38
MolLogP？: 0.1692699999999999
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 0
Activities Information
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