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Home > Other Heterocycles > 485812-75-7
485812-75-7 | 8-OXA-3-AZABICYCLO[3.2.1]OCTANE-3-ACETONITRILE
CAS No: 485812-75-7 Catalog No: AG006WPL MDL No:
Product Description
Catalog Number:
AG006WPL
Chemical Name:
8-OXA-3-AZABICYCLO[3.2.1]OCTANE-3-ACETONITRILE
CAS Number:
485812-75-7
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
IUPAC Name:
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetonitrile
InChI:
InChI=1S/C8H12N2O/c9-3-4-10-5-7-1-2-8(6-10)11-7/h7-8H,1-2,4-6H2
InChI Key:
PITNRKHYRCVVLU-UHFFFAOYSA-N
SMILES:
N#CCN1CC2CCC(C1)O2
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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