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Home Other Building Blocks 5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione

5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione

CAS No.:
190064-28-9
Catalog Number:
AG002EAT
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$188
- +
5g
97%
In Stock USA
United States
$563
- +
10g
97%
In Stock USA
United States
$938
- +
25g
97%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG002EAT
Chemical Name:
5-(3,4-Dimethoxyphenyl)cyclohexane-1,3-dione
CAS Number:
190064-28-9
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
MDL Number:
MFCD01954969
IUPAC Name:
5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C14H16O4/c1-17-13-4-3-9(7-14(13)18-2)10-5-11(15)8-12(16)6-10/h3-4,7,10H,5-6,8H2,1-2H3
InChI Key:
IRKIDJHFWYGNFG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C1CC(=O)CC(=O)C1
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties