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CRDB_AN000004

PubChem Compound ID CID10091830
CRDB ID CRDB_AN000004
Molecular Formula C21H20NaO6+
IUPAC Name sodium;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
IUPAC CAS Name sodium;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
IUPAC Traditional Name sodium;(1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione
Common Name NA
SMILES COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O.[Na+]
2D Structure
Molecular Weight 391.369669
Exact Mass 391.115758
TPSA 93.1
XLOGP3_AA
H-Bond Donor 2
H-Bond Acceptor 6
Rotatable Bond 8
Heavy Atom Count 28
Tautomer Count 51
Total Charge 1
Author 1
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