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88422-81-5 | 1-Isoquinolineacetonitrile, 3,4-dihydro-
CAS No: 88422-81-5 Catalog No: AG004EVY MDL No:
Product Description
Catalog Number:
AG004EVY
Chemical Name:
1-Isoquinolineacetonitrile, 3,4-dihydro-
CAS Number:
88422-81-5
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
2-(3,4-dihydroisoquinolin-1-yl)acetonitrile
InChI:
InChI=1S/C11H10N2/c12-7-5-11-10-4-2-1-3-9(10)6-8-13-11/h1-4H,5-6,8H2
InChI Key:
WXAPQORJZZXZJE-UHFFFAOYSA-N
SMILES:
N#CCC1=NCCc2c1cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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