Home Other Building Blocks 2H-Pyran-3,5(4h,6h)-dione

2H-Pyran-3,5(4h,6h)-dione

CAS No.:
61363-56-2
Catalog Number:
AG0036Z5
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$225
- +
10g
97%
In Stock USA
United States
$375
- +
25g
97%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG0036Z5
Chemical Name:
2H-Pyran-3,5(4h,6h)-dione
CAS Number:
61363-56-2
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
MDL Number:
MFCD09032525
IUPAC Name:
oxane-3,5-dione
InChI:
InChI=1S/C5H6O3/c6-4-1-5(7)3-8-2-4/h1-3H2
InChI Key:
SMIQVIXGQSMHKF-UHFFFAOYSA-N
SMILES:
O=C1COCC(=O)C1
NSC Number:
293808
Properties
Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.032g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
An improved synthesis of pyran-3,5-dione: application to the synthesis of ABT-598, a potassium channel opener, via Hantzsch reaction. The Journal of organic chemistry 20060217
Properties