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1000527-77-4 | 8-Isoquinolineacetonitrile
CAS No: 1000527-77-4 Catalog No: AG0000OO MDL No:MFCD09924071
Product Description
Catalog Number:
AG0000OO
Chemical Name:
8-Isoquinolineacetonitrile
CAS Number:
1000527-77-4
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
MDL Number:
MFCD09924071
IUPAC Name:
2-isoquinolin-8-ylacetonitrile
InChI:
InChI=1S/C11H8N2/c12-6-4-9-2-1-3-10-5-7-13-8-11(9)10/h1-3,5,7-8H,4H2
InChI Key:
BSHFYVNXDVBXRP-UHFFFAOYSA-N
SMILES:
N#CCc1cccc2c1cncc2
Properties
Complexity:
215
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:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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