Home Other Building Blocks 4,6-Dimethyl-2H-pyran-2-one

4,6-Dimethyl-2H-pyran-2-one

CAS No.:
675-09-2
Catalog Number:
AG003KJQ
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$87
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Product Description
Catalog Number:
AG003KJQ
Chemical Name:
4,6-Dimethyl-2H-pyran-2-one
CAS Number:
675-09-2
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
MDL Number:
MFCD00075555
IUPAC Name:
4,6-dimethylpyran-2-one
InChI:
InChI=1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3
InChI Key:
IXYLIUKQQQXXON-UHFFFAOYSA-N
SMILES:
Cc1cc(C)oc(=O)c1
EC Number:
211-618-7
UNII:
G2MA4KIQ1B
NSC Number:
402790
Properties
Complexity:
199  
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:
1.1  
Literature
Title Journal
Structure-anti-leukemic activity relationship study of ortho-dihydroxycoumarins in U-937 cells: key role of the δ-lactone ring in determining differentiation-inducing potency and selective pro-apoptotic action. Bioorganic & medicinal chemistry 20120915
5- and 6-membered (thio)lactones are prodrug type carbonic anhydrase inhibitors. Bioorganic & medicinal chemistry letters 20120101
Unprecedented synthesis of 1,3-dimethylcyclobutadiene in the solid state and aqueous solution. Chemistry (Weinheim an der Bergstrasse, Germany) 20110829
Single-crystal X-ray structure of 1,3-dimethylcyclobutadiene by confinement in a crystalline matrix. Science (New York, N.Y.) 20100716
Antifungal activity of 4-methyl-6-alkyl-2H-pyran-2-ones. Journal of agricultural and food chemistry 20060322
Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. Journal of medicinal chemistry 20050602
Properties