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Home Other Building Blocks 1-(3,4,5-Trimethoxyphenyl)propan-2-one

1-(3,4,5-Trimethoxyphenyl)propan-2-one

CAS No.:
16603-18-2
Catalog Number:
AG003IF4
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
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Product Description
Catalog Number:
AG003IF4
Chemical Name:
1-(3,4,5-Trimethoxyphenyl)propan-2-one
CAS Number:
16603-18-2
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD00210454
IUPAC Name:
1-(3,4,5-trimethoxyphenyl)propan-2-one
InChI:
InChI=1S/C12H16O4/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-7H,5H2,1-4H3
InChI Key:
WDNDMVGQGRDIBC-UHFFFAOYSA-N
SMILES:
COc1cc(CC(=O)C)cc(c1OC)OC
Properties
Complexity:
215  
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:
1.1  
Literature
Title Journal
Acetyl analogs of combretastatin A-4: synthesis and biological studies. Bioorganic & medicinal chemistry 20110401
Properties