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CRDB_AN000013

PubChem Compound ID CID10269241
CRDB ID CRDB_AN000013
Molecular Formula C20H28O5
IUPAC Name 2-ethylhexyl (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxobutanoate
IUPAC CAS Name (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxobutanoic acid 2-ethylhexyl ester
IUPAC Traditional Name (Z)-2-acetyl-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid 2-ethylhexyl ester
Common Name NA
SMILES CCCCC(CC)COC(=O)C(=CC1=CC(=C(C=C1)O)OC)C(=O)C
2D Structure
Molecular Weight 348.43332
Exact Mass 348.193674
TPSA 72.8
XLOGP3_AA
H-Bond Donor 1
H-Bond Acceptor 5
Rotatable Bond 11
Heavy Atom Count 25
Tautomer Count 13
Total Charge 0
Author 0
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