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90947-07-2 | 1-oxo-1,2-dihydroisoquinoline-5-carbonitrile
CAS No: 90947-07-2 Catalog No: AG00GVYM MDL No:MFCD12405868
Product Description
Catalog Number:
AG00GVYM
Chemical Name:
1-oxo-1,2-dihydroisoquinoline-5-carbonitrile
CAS Number:
90947-07-2
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD12405868
IUPAC Name:
1-oxo-2H-isoquinoline-5-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-6-7-2-1-3-9-8(7)4-5-12-10(9)13/h1-5H,(H,12,13)
InChI Key:
KQUKHTDJZHDLBP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1ccnc2O
Properties
Complexity:
299
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:
1.1
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