Home Other Building Blocks 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione

2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione

CAS No.:
15231-78-4
Catalog Number:
AG003FBJ
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$238
- +
25g
97%
In Stock USA
United States
$813
- +
Product Description
Catalog Number:
AG003FBJ
Chemical Name:
2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione
CAS Number:
15231-78-4
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD00006636
IUPAC Name:
2,2-dimethyl-5-phenyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C12H12O4/c1-12(2)15-10(13)9(11(14)16-12)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChI Key:
NTUAHNQWHPQAMB-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1c1ccccc1
EC Number:
239-278-5
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties