Home Nitriles 3-oxo-2,3-dihydroisoquinoline-8-carbonitrile

3-oxo-2,3-dihydroisoquinoline-8-carbonitrile

CAS No.:
1175272-54-4
Catalog Number:
AG01BVV8
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
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Product Description
Catalog Number:
AG01BVV8
Chemical Name:
3-oxo-2,3-dihydroisoquinoline-8-carbonitrile
CAS Number:
1175272-54-4
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD18803148
IUPAC Name:
3-oxo-2H-isoquinoline-8-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-5-8-3-1-2-7-4-10(13)12-6-9(7)8/h1-4,6H,(H,12,13)
InChI Key:
RVZLKUMTAUGENW-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1c[nH]c(=O)c2
Properties
Complexity:
441  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties