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1184916-94-6 | 1-oxo-1,2-dihydroisoquinoline-6-carbonitrile
CAS No: 1184916-94-6 Catalog No: AG008VZ4 MDL No:MFCD12405874
Product Description
Catalog Number:
AG008VZ4
Chemical Name:
1-oxo-1,2-dihydroisoquinoline-6-carbonitrile
CAS Number:
1184916-94-6
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD12405874
IUPAC Name:
1-oxo-2H-isoquinoline-6-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-6-7-1-2-9-8(5-7)3-4-12-10(9)13/h1-5H,(H,12,13)
InChI Key:
CYMWXJNXVVCPRZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ccnc2O
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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