Home Other Building Blocks 1-(azepan-1-yl)butane-1,3-dione

1-(azepan-1-yl)butane-1,3-dione

CAS No.:
78553-62-5
Catalog Number:
AG019N7V
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
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Product Description
Catalog Number:
AG019N7V
Chemical Name:
1-(azepan-1-yl)butane-1,3-dione
CAS Number:
78553-62-5
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
MDL Number:
MFCD00085460
IUPAC Name:
1-(azepan-1-yl)butane-1,3-dione
InChI:
InChI=1S/C10H17NO2/c1-9(12)8-10(13)11-6-4-2-3-5-7-11/h2-8H2,1H3
InChI Key:
FVCYDMFGFDHYDW-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCCC1)CC(=O)C
NSC Number:
74486
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties