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Home Nitriles 3,5-Dimethyl-4-hydroxybenzonitrile

3,5-Dimethyl-4-hydroxybenzonitrile

CAS No.:
4198-90-7
Catalog Number:
AG003IOK
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$57
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003IOK
Chemical Name:
3,5-Dimethyl-4-hydroxybenzonitrile
CAS Number:
4198-90-7
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00221716
IUPAC Name:
4-hydroxy-3,5-dimethylbenzonitrile
InChI:
InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3
InChI Key:
WFYGXOWFEIOHCZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)C)O
EC Number:
452-810-2
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Cyanation of arenes via iridium-catalyzed borylation. Journal of the American Chemical Society 20100825
Polarizable continuum model associated with the self-consistent-reaction field for molecular adsorbates at the interface. Physical chemistry chemical physics : PCCP 20100107
Properties