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91349-97-2 | 1,2,3,4-TETRAHYDRO-2-ISOQUINOLINEACETONITRILE
CAS No: 91349-97-2 Catalog No: AG006NRG MDL No:MFCD01717546
Product Description
Catalog Number:
AG006NRG
Chemical Name:
1,2,3,4-TETRAHYDRO-2-ISOQUINOLINEACETONITRILE
CAS Number:
91349-97-2
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD01717546
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile
InChI:
InChI=1S/C11H12N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5,7-9H2
InChI Key:
GPKIELSFWJGBHA-UHFFFAOYSA-N
SMILES:
N#CCN1CCc2c(C1)cccc2
NSC Number:
159952
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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