Home Nitriles 3-Phenoxypropionitrile

3-Phenoxypropionitrile

CAS No.:
3055-86-5
Catalog Number:
AG0030J8
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$63
- +
10g
98%(GC)
In Stock USA
United States
$87
- +
25g
98%(GC)
In Stock USA
United States
$155
- +
100g
98%(GC)
In Stock USA
United States
$496
- +
Product Description
Catalog Number:
AG0030J8
Chemical Name:
3-Phenoxypropionitrile
CAS Number:
3055-86-5
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00013822
IUPAC Name:
3-phenoxypropanenitrile
InChI:
InChI=1S/C9H9NO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChI Key:
IXAUFLAHUXISCH-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccccc1
EC Number:
221-278-1
NSC Number:
108215
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties