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82964-34-9 | 2-Propen-1-one, 1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenyl-, (2E)-
CAS No: 82964-34-9 Catalog No: AG005EHB MDL No:
Product Description
Catalog Number:
AG005EHB
Chemical Name:
2-Propen-1-one, 1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenyl-, (2E)-
CAS Number:
82964-34-9
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
1-(2-hydroxy-3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C17H16O4/c1-20-15-11-9-13(16(19)17(15)21-2)14(18)10-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3
InChI Key:
DQPDCCTVAXUNSG-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1O)C(=O)/C=C/c1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Propolis with high flavonoid content collected by honey bees from Acacia paradoxa. | Phytochemistry 20120901 |
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