Home Other Building Blocks 1-(azepan-1-yl)-2-hydroxyethan-1-one

1-(azepan-1-yl)-2-hydroxyethan-1-one

CAS No.:
51068-58-7
Catalog Number:
AG01A9C6
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
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Product Description
Catalog Number:
AG01A9C6
Chemical Name:
1-(azepan-1-yl)-2-hydroxyethan-1-one
CAS Number:
51068-58-7
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
MDL Number:
MFCD08443510
IUPAC Name:
1-(azepan-1-yl)-2-hydroxyethanone
InChI:
InChI=1S/C8H15NO2/c10-7-8(11)9-5-3-1-2-4-6-9/h10H,1-7H2
InChI Key:
WLAFVVDXJLJATJ-UHFFFAOYSA-N
SMILES:
OCC(=O)N1CCCCCC1
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties