Home Nitriles 4-(1,3-Dioxolan-2-yl)benzonitrile

4-(1,3-Dioxolan-2-yl)benzonitrile

CAS No.:
66739-89-7
Catalog Number:
AG00FCGF
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$206
- +
5g
95%
1 week
United States
$544
- +
Product Description
Catalog Number:
AG00FCGF
Chemical Name:
4-(1,3-Dioxolan-2-yl)benzonitrile
CAS Number:
66739-89-7
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00052570
IUPAC Name:
4-(1,3-dioxolan-2-yl)benzonitrile
InChI:
InChI=1S/C10H9NO2/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,10H,5-6H2
InChI Key:
AQXQCWAXQJVTKU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1OCCO1
Properties
Complexity:
206  
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:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties