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13880-89-2 | Pentanedinitrile, 3-hydroxy-
CAS No: 13880-89-2 Catalog No: AG0019LY MDL No:MFCD00671545
Product Description
Catalog Number:
AG0019LY
Chemical Name:
Pentanedinitrile, 3-hydroxy-
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 |
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