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26947-41-1 | 3-Isoquinolinecarbonitrile
CAS No: 26947-41-1 Catalog No: AG0037GL MDL No:MFCD00075136
Product Description
Catalog Number:
AG0037GL
Chemical Name:
3-Isoquinolinecarbonitrile
CAS Number:
26947-41-1
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
MDL Number:
MFCD00075136
IUPAC Name:
isoquinoline-3-carbonitrile
InChI:
InChI=1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H
InChI Key:
GXXBVBVNGMCFIU-UHFFFAOYSA-N
SMILES:
N#Cc1ncc2c(c1)cccc2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.172g/mol
Monoisotopic Mass:
154.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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