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1367744-24-8 | 5-METHYLISOQUINOLINE-1-CARBONITRILE
CAS No: 1367744-24-8 Catalog No: AG01BX62 MDL No:MFCD26666968
Product Description
Catalog Number:
AG01BX62
Chemical Name:
5-METHYLISOQUINOLINE-1-CARBONITRILE
CAS Number:
1367744-24-8
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
MDL Number:
MFCD26666968
IUPAC Name:
5-methylisoquinoline-1-carbonitrile
InChI:
InChI=1S/C11H8N2/c1-8-3-2-4-10-9(8)5-6-13-11(10)7-12/h2-6H,1H3
InChI Key:
OPKHNJHNOZCQBQ-UHFFFAOYSA-N
SMILES:
N#Cc1nccc2c1cccc2C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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