Nonyltyrazolone
AlkaPlorer ID: AK052834
Synonym: None
IUPAC Name: 4-[(4-hydroxyphenyl)methylidene]-2-nonyl-1,3-oxazol-5-one
Structure
SMILES: CCCCCCCCCC1=NC(=CC2=CC=C(O)C=C2)C(=O)O1
InChI: InChI=1S/C19H25NO3/c1-2-3-4-5-6-7-8-9-18-20-17(19(22)23-18)14-15-10-12-16(21)13-11-15/h10-14,21H,2-9H2,1H3
InChIKey: JPLKQMQCWCMVJA-UHFFFAOYSA-N
Reference
Co-occurrence of enzyme domains guides the discovery of an oxazolone synthetase
PubChem CID: 163140529
COCONUT: CNP0451915
{NPAtlas: NPA033515
Source
Properties Information
Molecule Weight: 315.41300000000007
TPSA？: 58.89
MolLogP？: 4.829100000000006
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
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