Home Nitriles 2-(4-(tert-butyl)phenyl)-2-hydroxyacetonitrile

2-(4-(tert-butyl)phenyl)-2-hydroxyacetonitrile

CAS No.:
91639-96-2
Catalog Number:
AG01DWUK
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
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Product Description
Catalog Number:
AG01DWUK
Chemical Name:
2-(4-(tert-butyl)phenyl)-2-hydroxyacetonitrile
CAS Number:
91639-96-2
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD12169362
IUPAC Name:
2-(4-tert-butylphenyl)-2-hydroxyacetonitrile
InChI:
InChI=1S/C12H15NO/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7,11,14H,1-3H3
InChI Key:
IDVNRVASEIMNBY-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)C(C)(C)C)C#N
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties