Home Other Building Blocks 4,6-dimethylazepan-2-one

4,6-dimethylazepan-2-one

CAS No.:
45827-96-1
Catalog Number:
AG01A21B
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
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Product Description
Catalog Number:
AG01A21B
Chemical Name:
4,6-dimethylazepan-2-one
CAS Number:
45827-96-1
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
MDL Number:
MFCD19219003
IUPAC Name:
4,6-dimethylazepan-2-one
InChI:
InChI=1S/C8H15NO/c1-6-3-7(2)5-9-8(10)4-6/h6-7H,3-5H2,1-2H3,(H,9,10)
InChI Key:
HWTDNNYOAGWISL-UHFFFAOYSA-N
SMILES:
CC1CC(C)CNC(=O)C1
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.214g/mol
Monoisotopic Mass:
141.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties