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2020-90-8 | 2-Propanone, 1-(2,4,5-trimethoxyphenyl)-
CAS No: 2020-90-8 Catalog No: AG002803 MDL No:
Product Description
Catalog Number:
AG002803
Chemical Name:
2-Propanone, 1-(2,4,5-trimethoxyphenyl)-
CAS Number:
2020-90-8
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
1-(2,4,5-trimethoxyphenyl)propan-2-one
InChI:
InChI=1S/C12H16O4/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-7H,5H2,1-4H3
InChI Key:
AQZHZTTUVYQMIN-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1CC(=O)C)OC
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Potent CYP3A4 inhibitory constituents of Piper cubeba. | Journal of natural products 20050101 |
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