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Chemical structure of 3-Deoxysappanchalcone

GC35109

3-Deoxysappanchalcone

Also known as (E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

3-Deoxysappanchalcone is a naturally-occurring chalcone compound isolated from Caesalpinia sappan L

ChemicalCAS112408-67-0MW270.28FormulaC16H14O4
CAS number
112408-67-0
Molecular weight
270.28
Formula
C16H14O4
Solubility
DMSO : 50 mg/mL (184·99 mM; Need ultrasonic)
InChIKey
PACBGANPVNHGNP-RUDMXATFSA-N
Catalogue number
GC35109
Brand
GLPBIO
Computed properties PubChem CID 5319688 · XLogP 3 · TPSA 66.8 Ų · H-bond donors 2
XLogP
3
TPSA
66.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20

SMILES COC1=C(C=CC(=C1)O)C(=O)/C=C/C2=CC=C(C=C2)O

Computed descriptors from PubChem (CID 5319688), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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