sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2',6'-Dimethoxyacetophenone

2',6'-Dimethoxyacetophenone

CAS No.:
2040-04-2
Catalog Number:
AG00298K
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$66
- +
Product Description
Catalog Number:
AG00298K
Chemical Name:
2',6'-Dimethoxyacetophenone
CAS Number:
2040-04-2
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00008729
IUPAC Name:
1-(2,6-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C10H12O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6H,1-3H3
InChI Key:
XEUGKOFTNAYMMX-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)C)OC
EC Number:
218-034-1
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Synthesis of methoxy-substituted phenols by peracid oxidation of the aromatic ring. The Journal of organic chemistry 20050902
Steroid hormone activity of flavonoids and related compounds. Breast cancer research and treatment 20000701
Properties