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Home Nitriles Piperonylonitrile

Piperonylonitrile

CAS No.:
4421-09-4
Catalog Number:
AG0035HS
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$17
- +
25g
98%
In Stock USA
United States
$57
- +
100g
98%
In Stock USA
United States
$150
- +
500g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG0035HS
Chemical Name:
Piperonylonitrile
CAS Number:
4421-09-4
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD00005820
IUPAC Name:
1,3-benzodioxole-5-carbonitrile
InChI:
InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2
InChI Key:
PKRWWZCDLJSJIF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)OCO2
EC Number:
224-590-6
NSC Number:
27009
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Acaricidal activities of apiol and its derivatives from Petroselinum sativum seeds against Dermatophagoides pteronyssinus, Dermatophagoides farinae, and Tyrophagus putrescentiae. Journal of agricultural and food chemistry 20110727
Properties