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Home > Pyridines > 1881158-29-7
1881158-29-7 | 3-(pyridin-4-yl)-2-azaspiro[3.3]heptan-1-one
CAS No: 1881158-29-7 Catalog No: AG01C51S MDL No:MFCD29763271
Product Description
Catalog Number:
AG01C51S
Chemical Name:
3-(pyridin-4-yl)-2-azaspiro[3.3]heptan-1-one
CAS Number:
1881158-29-7
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD29763271
IUPAC Name:
1-pyridin-4-yl-2-azaspiro[3.3]heptan-3-one
InChI:
InChI=1S/C11H12N2O/c14-10-11(4-1-5-11)9(13-10)8-2-6-12-7-3-8/h2-3,6-7,9H,1,4-5H2,(H,13,14)
InChI Key:
PPYYAXKZQCWDKS-UHFFFAOYSA-N
SMILES:
O=C1NC(C21CCC2)c1ccncc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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