200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 1272755-89-1
1272755-89-1 | Benzonitrile, 4-(6-oxo-5,8-diazaspiro[3.4]oct-7-yl)-
CAS No: 1272755-89-1 Catalog No: AG000WUC MDL No:MFCD18651750
Product Description
Catalog Number:
AG000WUC
Chemical Name:
Benzonitrile, 4-(6-oxo-5,8-diazaspiro[3.4]oct-7-yl)-
CAS Number:
1272755-89-1
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
MDL Number:
MFCD18651750
IUPAC Name:
4-(7-oxo-5,8-diazaspiro[3.4]octan-6-yl)benzonitrile
InChI:
InChI=1S/C13H13N3O/c14-8-9-2-4-10(5-3-9)11-12(17)16-13(15-11)6-1-7-13/h2-5,11,15H,1,6-7H2,(H,16,17)
InChI Key:
AXPATBYEBHZYBJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1NC2(NC1=O)CCC2
Properties
Complexity:
371
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.