Home Nitriles 4-(2-OxiranylMethoxy)benzeneacetonitrile

4-(2-OxiranylMethoxy)benzeneacetonitrile

CAS No.:
35198-42-6
Catalog Number:
AG00C9ZU
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG00C9ZU
Chemical Name:
4-(2-OxiranylMethoxy)benzeneacetonitrile
CAS Number:
35198-42-6
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD06655810
IUPAC Name:
2-[4-(oxiran-2-ylmethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C11H11NO2/c12-6-5-9-1-3-10(4-2-9)13-7-11-8-14-11/h1-4,11H,5,7-8H2
InChI Key:
WDGZJFDDPCUVPF-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)OCC1CO1
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties