Home Nitriles 3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

CAS No.:
56053-56-6
Catalog Number:
AG01B7KT
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01B7KT
Chemical Name:
3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CAS Number:
56053-56-6
MDL Number:
MFCD18761960
IUPAC Name:
3,8-dioxo-2,5,6,7-tetrahydroisoquinoline-4-carbonitrile
InChI:
InChI=1S/C10H8N2O2/c11-4-7-6-2-1-3-9(13)8(6)5-12-10(7)14/h5H,1-3H2,(H,12,14)
InChI Key:
UWKBETKFDVPXOQ-UHFFFAOYSA-N
Properties
Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties