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Home > Other Heterocycles > 1272755-93-7
1272755-93-7 | Benzonitrile, 2-(6-oxo-5,8-diazaspiro[3.4]oct-7-yl)-
CAS No: 1272755-93-7 Catalog No: AG000WU8 MDL No:MFCD18651745
Product Description
Catalog Number:
AG000WU8
Chemical Name:
Benzonitrile, 2-(6-oxo-5,8-diazaspiro[3.4]oct-7-yl)-
CAS Number:
1272755-93-7
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
MDL Number:
MFCD18651745
IUPAC Name:
2-(7-oxo-5,8-diazaspiro[3.4]octan-6-yl)benzonitrile
InChI:
InChI=1S/C13H13N3O/c14-8-9-4-1-2-5-10(9)11-12(17)16-13(15-11)6-3-7-13/h1-2,4-5,11,15H,3,6-7H2,(H,16,17)
InChI Key:
ZSUXXSXUSAHYAS-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C1NC2(NC1=O)CCC2
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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