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Home > Other Heterocycles > 2044714-14-7
2044714-14-7 | 2-oxo-1-azaspiro[3.3]heptane-6-carbonitrile
CAS No: 2044714-14-7 Catalog No: AG01BV00 MDL No:MFCD30476207
Product Description
Catalog Number:
AG01BV00
Chemical Name:
2-oxo-1-azaspiro[3.3]heptane-6-carbonitrile
CAS Number:
2044714-14-7
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD30476207
IUPAC Name:
2-oxo-1-azaspiro[3.3]heptane-6-carbonitrile
InChI:
InChI=1S/C7H8N2O/c8-4-5-1-7(2-5)3-6(10)9-7/h5H,1-3H2,(H,9,10)
InChI Key:
CPLRIVBKLJJPGP-UHFFFAOYSA-N
SMILES:
N#CC1CC2(C1)CC(=O)N2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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