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CRDB_AN000015

PubChem Compound ID CID10340927
CRDB ID CRDB_AN000015
Molecular Formula C21H20O8
IUPAC Name (E,2E)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methoxycarbonylbut-3-enoic acid
IUPAC CAS Name (E,2E)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methoxycarbonyl-3-butenoic acid
IUPAC Traditional Name (E,2E)-3-carbomethoxy-4-(4-hydroxy-3-methoxy-phenyl)-2-vanillylidene-but-3-enoic acid
Common Name NA
SMILES COC1=C(C=CC(=C1)C=C(C(=CC2=CC(=C(C=C2)O)OC)C(=O)OC)C(=O)O)O
2D Structure
Molecular Weight 400.3787
Exact Mass 400.115818
TPSA 123
XLOGP3_AA 3
H-Bond Donor 3
H-Bond Acceptor 8
Rotatable Bond 8
Heavy Atom Count 29
Tautomer Count 25
Total Charge 0
Author 0
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