Home Nitriles (1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

(1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

CAS No.:
1727-97-5
Catalog Number:
AG01AI60
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
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Product Description
Catalog Number:
AG01AI60
Chemical Name:
(1S,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CAS Number:
1727-97-5
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD18838875
IUPAC Name:
(1S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
InChI:
InChI=1S/C7H9NO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-3H2/t5?,6-,7+/m1/s1
InChI Key:
SOCKWJNQKNADLU-FWPZAIACSA-N
SMILES:
N#C[C@@H]1C[C@@H]2O[C@H]1CC2
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties