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53000-96-7 | 1-Oxo-1,2-dihydroisoquinoline-4-carbonitrile
CAS No: 53000-96-7 Catalog No: AG00DKUF MDL No:MFCD18432408
Product Description
Catalog Number:
AG00DKUF
Chemical Name:
1-Oxo-1,2-dihydroisoquinoline-4-carbonitrile
CAS Number:
53000-96-7
MDL Number:
MFCD18432408
IUPAC Name:
1-oxo-2H-isoquinoline-4-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-5-7-6-12-10(13)9-4-2-1-3-8(7)9/h1-4,6H,(H,12,13)
InChI Key:
AIIWGDSPHYPAIM-UHFFFAOYSA-N
Properties
Complexity:
310
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:
0.8
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