Home Nitriles 3-Hydroxy-5-methylbenzonitrile

3-Hydroxy-5-methylbenzonitrile

CAS No.:
95658-81-4
Catalog Number:
AG005ZD7
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$100
- +
1g
98%
In Stock USA
United States
$257
- +
5g
98%
In Stock USA
United States
$775
- +
Product Description
Catalog Number:
AG005ZD7
Chemical Name:
3-Hydroxy-5-methylbenzonitrile
CAS Number:
95658-81-4
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD16999137
IUPAC Name:
3-hydroxy-5-methylbenzonitrile
InChI:
InChI=1S/C8H7NO/c1-6-2-7(5-9)4-8(10)3-6/h2-4,10H,1H3
InChI Key:
OATUMQZBLZQKBX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1)O
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties