Home Other Building Blocks 3-(oxan-4-yl)azepan-2-one

3-(oxan-4-yl)azepan-2-one

CAS No.:
1565480-39-8
Catalog Number:
AG01BTQA
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
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Product Description
Catalog Number:
AG01BTQA
Chemical Name:
3-(oxan-4-yl)azepan-2-one
CAS Number:
1565480-39-8
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
MDL Number:
MFCD26931761
IUPAC Name:
3-(oxan-4-yl)azepan-2-one
InChI:
InChI=1S/C11H19NO2/c13-11-10(3-1-2-6-12-11)9-4-7-14-8-5-9/h9-10H,1-8H2,(H,12,13)
InChI Key:
DJMUFVFTBFUPMV-UHFFFAOYSA-N
SMILES:
O=C1NCCCCC1C1CCOCC1
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties