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Azepan-2-one

CAS No.:
105-60-2
Catalog Number:
AG0034TG
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>99%(GC)
In Stock USA
United States
$39
- +
25g
>99%(GC)
In Stock USA
United States
$57
- +
100g
>99%(GC)
In Stock USA
United States
$94
- +
Product Description
Catalog Number:
AG0034TG
Chemical Name:
Azepan-2-one
CAS Number:
105-60-2
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
MDL Number:
MFCD19226350
IUPAC Name:
azepan-2-one
InChI:
InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChI Key:
JBKVHLHDHHXQEQ-UHFFFAOYSA-N
SMILES:
O=C1CCCCCN1
UNII:
6879X594Z8
FEMA Number:
4235
RTECS Number:
CM3675000
UN Number:
3082
Properties
Complexity:
90.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
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Properties