Home Nitriles 2-[hydroxy(thiophen-2-yl)methyl]butanenitrile

2-[hydroxy(thiophen-2-yl)methyl]butanenitrile

CAS No.:
1537813-35-6
Catalog Number:
AG01BXS4
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
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Product Description
Catalog Number:
AG01BXS4
Chemical Name:
2-[hydroxy(thiophen-2-yl)methyl]butanenitrile
CAS Number:
1537813-35-6
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
MDL Number:
MFCD21802094
IUPAC Name:
2-[hydroxy(thiophen-2-yl)methyl]butanenitrile
InChI:
InChI=1S/C9H11NOS/c1-2-7(6-10)9(11)8-4-3-5-12-8/h3-5,7,9,11H,2H2,1H3
InChI Key:
XKOOCBPICNCPCS-UHFFFAOYSA-N
SMILES:
CCC(C(c1cccs1)O)C#N
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties