Home Nitriles Benzonitrile,2-(2-oxiranylmethoxy)-

Benzonitrile,2-(2-oxiranylmethoxy)-

CAS No.:
38465-16-6
Catalog Number:
AG0079PU
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0079PU
Chemical Name:
Benzonitrile,2-(2-oxiranylmethoxy)-
CAS Number:
38465-16-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD01632505
IUPAC Name:
2-(oxiran-2-ylmethoxy)benzonitrile
InChI:
InChI=1S/C10H9NO2/c11-5-8-3-1-2-4-10(8)13-7-9-6-12-9/h1-4,9H,6-7H2
InChI Key:
BIJYXIOVXFBJEP-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1OCC1CO1
EC Number:
609-555-9
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties