Home Nitriles 3-(tert-Butyl)-4-hydroxybenzonitrile

3-(tert-Butyl)-4-hydroxybenzonitrile

CAS No.:
4910-04-7
Catalog Number:
AG00DK0Z
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$374
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Product Description
Catalog Number:
AG00DK0Z
Chemical Name:
3-(tert-Butyl)-4-hydroxybenzonitrile
CAS Number:
4910-04-7
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD16999179
IUPAC Name:
3-tert-butyl-4-hydroxybenzonitrile
InChI:
InChI=1S/C11H13NO/c1-11(2,3)9-6-8(7-12)4-5-10(9)13/h4-6,13H,1-3H3
InChI Key:
WOQNZPYFQSOAJS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(C)(C)C)O
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties