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Home Nitriles 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile

3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile

CAS No.:
1611-07-0
Catalog Number:
AG001S5X
Molecular Formula:
C16H23NO
Molecular Weight:
245.3599
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$200
- +
5g
1 week
United States
$619
- +
10g
1 week
United States
$1157
- +
Product Description
Catalog Number:
AG001S5X
Chemical Name:
3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile
CAS Number:
1611-07-0
Molecular Formula:
C16H23NO
Molecular Weight:
245.3599
MDL Number:
MFCD00156139
IUPAC Name:
2-(3,5-ditert-butyl-4-hydroxyphenyl)acetonitrile
InChI:
InChI=1S/C16H23NO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h9-10,18H,7H2,1-6H3
InChI Key:
BEQZSRGZHCDMMH-UHFFFAOYSA-N
SMILES:
N#CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.178g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.366g/mol
Monoisotopic Mass:
245.178g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties