Home Other Building Blocks gamma-2,6-Dimethylpyrone

gamma-2,6-Dimethylpyrone

CAS No.:
1004-36-0
Catalog Number:
AG0001X0
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$38
- +
25g
95%forsynthesis
In Stock USA
United States
$114
- +
100g
95%forsynthesis
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG0001X0
Chemical Name:
gamma-2,6-Dimethylpyrone
CAS Number:
1004-36-0
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
MDL Number:
MFCD00006579
IUPAC Name:
2,6-dimethylpyran-4-one
InChI:
InChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
InChI Key:
VSYFZULSKMFUJJ-UHFFFAOYSA-N
SMILES:
Cc1oc(C)cc(=O)c1
EC Number:
213-719-1
UNII:
V2D262MF0L
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.052g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.139g/mol
Monoisotopic Mass:
124.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
In silico identification and biochemical characterization of novel inhibitors of NQO1. Bioorganic & medicinal chemistry letters 20061215
Properties