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CRDB_AN000025

PubChem Compound ID CID10489861
CRDB ID CRDB_AN000025
Molecular Formula C13H14O4
IUPAC Name (E)-6-(4-hydroxy-3-methoxyphenyl)hex-5-ene-2,4-dione
IUPAC CAS Name (E)-6-(4-hydroxy-3-methoxyphenyl)-5-hexene-2,4-dione
IUPAC Traditional Name (E)-6-(4-hydroxy-3-methoxy-phenyl)hex-5-ene-2,4-dione
Common Name NA
SMILES CC(=O)CC(=O)C=CC1=CC(=C(C=C1)O)OC
2D Structure
Molecular Weight 234.24786
Exact Mass 234.089209
TPSA 63.6
XLOGP3_AA
H-Bond Donor 1
H-Bond Acceptor 4
Rotatable Bond 5
Heavy Atom Count 17
Tautomer Count 28
Total Charge 0
Author 0
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GI Molecular Targets NCBI Links