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Home > Other Heterocycles > 1272755-80-2
1272755-80-2 | Benzonitrile, 4-(2-oxo-1,4-diazaspiro[4.4]non-3-yl)-
CAS No: 1272755-80-2 Catalog No: AG000WUL MDL No:MFCD18651740
Product Description
Catalog Number:
AG000WUL
Chemical Name:
Benzonitrile, 4-(2-oxo-1,4-diazaspiro[4.4]non-3-yl)-
CAS Number:
1272755-80-2
Molecular Formula:
C14H15N3O
Molecular Weight:
241.2884
MDL Number:
MFCD18651740
IUPAC Name:
4-(3-oxo-1,4-diazaspiro[4.4]nonan-2-yl)benzonitrile
InChI:
InChI=1S/C14H15N3O/c15-9-10-3-5-11(6-4-10)12-13(18)17-14(16-12)7-1-2-8-14/h3-6,12,16H,1-2,7-8H2,(H,17,18)
InChI Key:
KGFXWXRKPBDXBX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1NC2(NC1=O)CCCC2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.294g/mol
Monoisotopic Mass:
241.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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