Home Other Building Blocks 6,6-dimethylazepane-2,4-dione

6,6-dimethylazepane-2,4-dione

CAS No.:
21455-90-3
Catalog Number:
AG01C16E
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C16E
Chemical Name:
6,6-dimethylazepane-2,4-dione
CAS Number:
21455-90-3
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD16658128
IUPAC Name:
6,6-dimethylazepane-2,4-dione
InChI:
InChI=1S/C8H13NO2/c1-8(2)4-6(10)3-7(11)9-5-8/h3-5H2,1-2H3,(H,9,11)
InChI Key:
PCQIZHCFAKRVNL-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)NCC(C1)(C)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties