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Phenoxyacetonitrile

CAS No.:
3598-14-9
Catalog Number:
AG003TOH
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$38
- +
25g
97%
In Stock USA
United States
$113
- +
100g
97%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG003TOH
Chemical Name:
Phenoxyacetonitrile
CAS Number:
3598-14-9
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD00052017
IUPAC Name:
2-phenoxyacetonitrile
InChI:
InChI=1S/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
InChI Key:
VLLSCJFPVSQXDM-UHFFFAOYSA-N
SMILES:
N#CCOc1ccccc1
NSC Number:
49354
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties