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Home Nitriles Benzeneacetonitrile, α,4-dihydroxy-

Benzeneacetonitrile, α,4-dihydroxy-

CAS No.:
13093-65-7
Catalog Number:
AG000V4F
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
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Product Description
Catalog Number:
AG000V4F
Chemical Name:
Benzeneacetonitrile, α,4-dihydroxy-
CAS Number:
13093-65-7
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD00056685
IUPAC Name:
2-hydroxy-2-(4-hydroxyphenyl)acetonitrile
InChI:
InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H
InChI Key:
HOOOPXDSCKBLFG-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)O)C#N
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Determination of catalytic key amino acids and UDP sugar donor specificity of the cyanohydrin glycosyltransferase UGT85B1 from Sorghum bicolor. Molecular modeling substantiated by site-specific mutagenesis and biochemical analyses. Plant physiology 20051001
Development of (R)-4-hydroxymandelonitrile synthesis in an aqueous-organic biphasic stirred tank batch reactor. Biotechnology and bioengineering 20020720
Structure determinants of substrate specificity of hydroxynitrile lyase from Manihot esculenta. Protein science : a publication of the Protein Society 20020101
Biosynthesis of cyanogenic glucosides: in vitro analysis of the glucosylation step. Archives of biochemistry and biophysics 19840215
Properties