Home Other Building Blocks 4H-Pyran-4-one, tetrahydro-2,6-dimethyl-, (2R,6S)-rel-

4H-Pyran-4-one, tetrahydro-2,6-dimethyl-, (2R,6S)-rel-

CAS No.:
14505-80-7
Catalog Number:
AG001KI5
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$314
- +
1g
95%
1 week
United States
$731
- +
Product Description
Catalog Number:
AG001KI5
Chemical Name:
4H-Pyran-4-one, tetrahydro-2,6-dimethyl-, (2R,6S)-rel-
CAS Number:
14505-80-7
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD27944836
IUPAC Name:
(2S,6R)-2,6-dimethyloxan-4-one
InChI:
InChI=1S/C7H12O2/c1-5-3-7(8)4-6(2)9-5/h5-6H,3-4H2,1-2H3/t5-,6+
InChI Key:
FZXBJPDVINOGBR-OLQVQODUSA-N
SMILES:
C[C@@H]1O[C@H](C)CC(=O)C1
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties