Home Other Building Blocks 1,4,8-oxadiazecan-5-one

1,4,8-oxadiazecan-5-one

CAS No.:
2044713-53-1
Catalog Number:
AG01B782
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
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Product Description
Catalog Number:
AG01B782
Chemical Name:
1,4,8-oxadiazecan-5-one
CAS Number:
2044713-53-1
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
MDL Number:
MFCD30345180
IUPAC Name:
1,4,8-oxadiazecan-5-one
InChI:
InChI=1S/C7H14N2O2/c10-7-1-2-8-3-5-11-6-4-9-7/h8H,1-6H2,(H,9,10)
InChI Key:
YQZLOMTYWMQMNS-UHFFFAOYSA-N
SMILES:
O=C1CCNCCOCCN1
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.106g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.201g/mol
Monoisotopic Mass:
158.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties