Home Nitriles Pentanenitrile, 3-hydroxy-

Pentanenitrile, 3-hydroxy-

CAS No.:
13635-05-7
Catalog Number:
AG0011SG
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
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Product Description
Catalog Number:
AG0011SG
Chemical Name:
Pentanenitrile, 3-hydroxy-
CAS Number:
13635-05-7
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
MDL Number:
MFCD11654010
IUPAC Name:
3-hydroxypentanenitrile
InChI:
InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3
InChI Key:
FXHRDEQPODSZQL-UHFFFAOYSA-N
SMILES:
CCC(CC#N)O
Properties
Complexity:
81.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Efficient preparation of (R)-3-hydroxypentanenitrile with high enantiomeric excess by enzymatic reduction with subsequent enhancement of the optical purity by lipase-catalyzed ester hydrolysis. Bioscience, biotechnology, and biochemistry 20120101
Reaction mechanisms and structural characterization of the reactive intermediates observed after the photolysis of 3-(hydroxymethyl)benzophenone in acetonitrile, 2-propanol, and neutral and acidic aqueous solutions. The Journal of organic chemistry 20110520
Biosynthesis of chiral 3-hydroxyvalerate from single propionate-unrelated carbon sources in metabolically engineered E. coli. Microbial cell factories 20100101
Analysis of CoQ10 in rat serum by ultra-performance liquid chromatography mass spectrometry after oral administration. Journal of pharmaceutical and biomedical analysis 20080107
Quantitation of triacylglycerols from plant oils using charged aerosol detection with gradient compensation. Journal of chromatography. A 20071228
Protein engineering of Acidovorax facilis 72W nitrilase for bioprocess development. Biotechnology and bioengineering 20070701
Fast and quantitative recovery of hydrophobic and amphipathic peptides after incorporation into phospholipid membranes. Analytical chemistry 20060801
Properties