Home Nitriles 4-Hydroxy-2,6-dimethylbenzonitrile

4-Hydroxy-2,6-dimethylbenzonitrile

CAS No.:
58537-99-8
Catalog Number:
AG003LHG
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
10g
95%
In Stock USA
United States
$32
- +
Product Description
Catalog Number:
AG003LHG
Chemical Name:
4-Hydroxy-2,6-dimethylbenzonitrile
CAS Number:
58537-99-8
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00238591
IUPAC Name:
4-hydroxy-2,6-dimethylbenzonitrile
InChI:
InChI=1S/C9H9NO/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4,11H,1-2H3
InChI Key:
KZEJTKHRBQWACL-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(cc1C)O
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
Polarizable continuum model associated with the self-consistent-reaction field for molecular adsorbates at the interface. Physical chemistry chemical physics : PCCP 20100107
Properties