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Home > Other Heterocycles > 51047-68-8
51047-68-8 | 1-azaspiro[3.3]heptan-2-one
CAS No: 51047-68-8 Catalog No: AG00VRSM MDL No:MFCD20481993
Product Description
Catalog Number:
AG00VRSM
Chemical Name:
1-azaspiro[3.3]heptan-2-one
CAS Number:
51047-68-8
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
MDL Number:
MFCD20481993
IUPAC Name:
1-azaspiro[3.3]heptan-2-one
InChI:
InChI=1S/C6H9NO/c8-5-4-6(7-5)2-1-3-6/h1-4H2,(H,7,8)
InChI Key:
CTMVADOISWHDEP-UHFFFAOYSA-N
SMILES:
O=C1CC2(N1)CCC2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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