Home Nitriles 3-hydroxy-2-(thiophen-2-ylmethyl)propanenitrile

3-hydroxy-2-(thiophen-2-ylmethyl)propanenitrile

CAS No.:
906075-48-7
Catalog Number:
AG01A3PN
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
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Product Description
Catalog Number:
AG01A3PN
Chemical Name:
3-hydroxy-2-(thiophen-2-ylmethyl)propanenitrile
CAS Number:
906075-48-7
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
MDL Number:
MFCD18294363
IUPAC Name:
2-(hydroxymethyl)-3-thiophen-2-ylpropanenitrile
InChI:
InChI=1S/C8H9NOS/c9-5-7(6-10)4-8-2-1-3-11-8/h1-3,7,10H,4,6H2
InChI Key:
VLGGRPUWGPUWSJ-UHFFFAOYSA-N
SMILES:
OCC(Cc1cccs1)C#N
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.226g/mol
Monoisotopic Mass:
167.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties