200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1004-36-0
1004-36-0 | 4H-Pyran-4-one, 2,6-dimethyl-
CAS No: 1004-36-0 Catalog No: AG0001X0 MDL No:MFCD00006579
Product Description
Catalog Number:
AG0001X0
Chemical Name:
4H-Pyran-4-one, 2,6-dimethyl-
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.