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Home Nitriles 3-Hydroxy-3-phenyl-propionitrile

3-Hydroxy-3-phenyl-propionitrile

CAS No.:
17190-29-3
Catalog Number:
AG007DE1
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$75
- +
1g
98%
In Stock USA
United States
$132
- +
5g
98%
In Stock USA
United States
$400
- +
10g
98%
In Stock USA
United States
$650
- +
Product Description
Catalog Number:
AG007DE1
Chemical Name:
3-Hydroxy-3-phenyl-propionitrile
CAS Number:
17190-29-3
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00544189
IUPAC Name:
3-hydroxy-3-phenylpropanenitrile
InChI:
InChI=1S/C9H9NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6H2
InChI Key:
HILDHWAXSORHRZ-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)CC#N
Properties
Complexity:
152  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Turning the 'mustard oil bomb' into a 'cyanide bomb': aromatic glucosinolate metabolism in a specialist insect herbivore. PloS one 20120101
Local neurosteroid production in the hippocampus: influence on synaptic plasticity of memory. Neuroendocrinology 20060101
A new facile chemoenzymatic synthesis of levamisole. Bioorganic & medicinal chemistry letters 20050201
Characterisation of nitrilase and nitrile hydratase biocatalytic systems. Applied microbiology and biotechnology 20040301
Solvent-dependent mixed complex formation-NMR studies and asymmetric addition reactions of lithioacetonitrile to benzaldehyde mediated by chiral lithium amides. Chemistry (Weinheim an der Bergstrasse, Germany) 20020503
Properties