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Home Nitriles 3-Hydroxypentanedinitrile

3-Hydroxypentanedinitrile

CAS No.:
13880-89-2
Catalog Number:
AG0019LY
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95.0%(GC)
1 week
United States
$210
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Product Description
Catalog Number:
AG0019LY
Chemical Name:
3-Hydroxypentanedinitrile
CAS Number:
13880-89-2
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD00671545
IUPAC Name:
3-hydroxypentanedinitrile
InChI:
InChI=1S/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H2
InChI Key:
NMFITULDMUZCQD-UHFFFAOYSA-N
SMILES:
OC(CC#N)CC#N
NSC Number:
625028
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
Creation of a productive, highly enantioselective nitrilase through gene site saturation mutagenesis (GSSM). Journal of the American Chemical Society 20030924
An enzyme library approach to biocatalysis: development of nitrilases for enantioselective production of carboxylic acid derivatives. Journal of the American Chemical Society 20020807
Properties