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2059943-96-1 | 5,8-dimethylisoquinoline-1-carbonitrile
CAS No: 2059943-96-1 Catalog No: AG01BX66 MDL No:MFCD30477795
Product Description
Catalog Number:
AG01BX66
Chemical Name:
5,8-dimethylisoquinoline-1-carbonitrile
CAS Number:
2059943-96-1
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
MDL Number:
MFCD30477795
IUPAC Name:
5,8-dimethylisoquinoline-1-carbonitrile
InChI:
InChI=1S/C12H10N2/c1-8-3-4-9(2)12-10(8)5-6-14-11(12)7-13/h3-6H,1-2H3
InChI Key:
KHEDBGRHQBHEAK-UHFFFAOYSA-N
SMILES:
N#Cc1nccc2c1c(C)ccc2C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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