Home Nitriles 4-Hydroxy-tetrahydro-pyran-4-carbonitrile

4-Hydroxy-tetrahydro-pyran-4-carbonitrile

CAS No.:
50289-10-6
Catalog Number:
AG00DG4W
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
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Product Description
Catalog Number:
AG00DG4W
Chemical Name:
4-Hydroxy-tetrahydro-pyran-4-carbonitrile
CAS Number:
50289-10-6
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD12087857
IUPAC Name:
4-hydroxyoxane-4-carbonitrile
InChI:
InChI=1S/C6H9NO2/c7-5-6(8)1-3-9-4-2-6/h8H,1-4H2
InChI Key:
OXFYWRXLEMQSPC-UHFFFAOYSA-N
SMILES:
N#CC1(O)CCOCC1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties