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Home > Other Building Blocks > 76172-68-4
76172-68-4 | 1-Propanone,3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-
CAS No: 76172-68-4 Catalog No: AG005FER MDL No:
Product Description
Catalog Number:
AG005FER
Chemical Name:
1-Propanone,3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-
CAS Number:
76172-68-4
Molecular Formula:
C16H16O5
Molecular Weight:
288.2952
IUPAC Name:
3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
InChI:
InChI=1S/C16H16O5/c1-21-12-5-2-10(3-6-12)4-7-13(18)16-14(19)8-11(17)9-15(16)20/h2-3,5-6,8-9,17,19-20H,4,7H2,1H3
InChI Key:
YQNPVOBVGNGYHD-UHFFFAOYSA-N
SMILES:
COC1=CCC(C=C1)C=CC(=O)c1c(O)cc(cc1O)O
EC Number:
278-386-7
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.299g/mol
Monoisotopic Mass:
288.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Isolation and identification of antiplatelet aggregatory principles from the leaves of Piper lolot. | Journal of agricultural and food chemistry 20071114 |
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