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1079651-22-1 | 1-Methylisoquinoline-3-carbonitrile
CAS No: 1079651-22-1 Catalog No: AG01EDV1 MDL No:
Product Description
Catalog Number:
AG01EDV1
Chemical Name:
1-Methylisoquinoline-3-carbonitrile
CAS Number:
1079651-22-1
IUPAC Name:
1-methylisoquinoline-3-carbonitrile
InChI:
InChI=1S/C11H8N2/c1-8-11-5-3-2-4-9(11)6-10(7-12)13-8/h2-6H,1H3
InChI Key:
KBFQQGXVUSXOAG-UHFFFAOYSA-N
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:
2.6
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