Home Nitriles 2-hydroxy-2-(oxolan-3-yl)acetonitrile

2-hydroxy-2-(oxolan-3-yl)acetonitrile

CAS No.:
1155915-36-8
Catalog Number:
AG01A0GD
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A0GD
Chemical Name:
2-hydroxy-2-(oxolan-3-yl)acetonitrile
CAS Number:
1155915-36-8
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD12169349
IUPAC Name:
2-hydroxy-2-(oxolan-3-yl)acetonitrile
InChI:
InChI=1S/C6H9NO2/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-2,4H2
InChI Key:
VCRKYUBLJVLAQI-UHFFFAOYSA-N
SMILES:
N#CC(C1COCC1)O
Properties
Complexity:
137  
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:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties