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Home > Other Heterocycles > 1194-45-2
1194-45-2 | 6-Azaspiro[2.5]octane-5,7-dione
CAS No: 1194-45-2 Catalog No: AG000IPS MDL No:
Product Description
Catalog Number:
AG000IPS
Chemical Name:
6-Azaspiro[2.5]octane-5,7-dione
CAS Number:
1194-45-2
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
IUPAC Name:
6-azaspiro[2.5]octane-5,7-dione
InChI:
InChI=1S/C7H9NO2/c9-5-3-7(1-2-7)4-6(10)8-5/h1-4H2,(H,8,9,10)
InChI Key:
UTFUKFWLYMWWEI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CC2(C1)CC2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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