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Home > Other Heterocycles > 1303756-15-1
1303756-15-1 | 3-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}benzonitrile
CAS No: 1303756-15-1 Catalog No: AG01BBFP MDL No:MFCD13337500
Product Description
Catalog Number:
AG01BBFP
Chemical Name:
3-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}benzonitrile
CAS Number:
1303756-15-1
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
MDL Number:
MFCD13337500
IUPAC Name:
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)benzonitrile
InChI:
InChI=1S/C14H13N3O2/c15-9-10-4-3-5-11(8-10)17-12(18)14(16-13(17)19)6-1-2-7-14/h3-5,8H,1-2,6-7H2,(H,16,19)
InChI Key:
LVLHKEFIUSPGAV-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N1C(=O)NC2(C1=O)CCCC2
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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