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18956-15-5 | 2-Propen-1-one, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-, (2E)-
CAS No: 18956-15-5 Catalog No: AG002DQY MDL No:MFCD00017363
Product Description
Catalog Number:
AG002DQY
Chemical Name:
2-Propen-1-one, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-, (2E)-
CAS Number:
18956-15-5
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
MDL Number:
MFCD00017363
IUPAC Name:
(E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C16H14O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-10,18-19H,1H3/b8-7+
InChI Key:
CUGDOWNTXKLQMD-BQYQJAHWSA-N
SMILES:
COc1cc(O)c(c(c1)O)C(=O)/C=C/c1ccccc1
EC Number:
278-629-7
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| In vitro anti-tumor activity of 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone against six established human cancer cell lines. | Pharmacological research 20041101 |
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