Home Nitriles (4-methoxyphenyl)glycolonitrile

(4-methoxyphenyl)glycolonitrile

CAS No.:
33646-40-1
Catalog Number:
AG00C7C6
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00C7C6
Chemical Name:
(4-methoxyphenyl)glycolonitrile
CAS Number:
33646-40-1
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD01715826
IUPAC Name:
2-hydroxy-2-(4-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H9NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,1H3
InChI Key:
WLDAAMXETLHTER-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C#N)O
EC Number:
251-614-2
NSC Number:
32393
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties