Home Other Building Blocks 1-(PROP-2-YN-1-YL)AZEPAN-2-ONE

1-(PROP-2-YN-1-YL)AZEPAN-2-ONE

CAS No.:
23266-25-3
Catalog Number:
AG01EMT2
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
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Product Description
Catalog Number:
AG01EMT2
Chemical Name:
1-(PROP-2-YN-1-YL)AZEPAN-2-ONE
CAS Number:
23266-25-3
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD14638441
IUPAC Name:
1-prop-2-ynylazepan-2-one
InChI:
InChI=1S/C9H13NO/c1-2-7-10-8-5-3-4-6-9(10)11/h1H,3-8H2
InChI Key:
UWVBIUDCJKPZAV-UHFFFAOYSA-N
SMILES:
C#CCN1CCCCCC1=O
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties