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2478-49-1 | Pentanedinitrile, 2-hydroxy-
CAS No: 2478-49-1 Catalog No: AG002PEY MDL No:
Product Description
Catalog Number:
AG002PEY
Chemical Name:
Pentanedinitrile, 2-hydroxy-
CAS Number:
2478-49-1
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
IUPAC Name:
2-hydroxypentanedinitrile
InChI:
InChI=1S/C5H6N2O/c6-3-1-2-5(8)4-7/h5,8H,1-2H2
InChI Key:
DDCDTWPTVDVDDU-UHFFFAOYSA-N
SMILES:
N#CCCC(C#N)O
Properties
Complexity:
146
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Evolution of a microbial nitrilase gene family: a comparative and environmental genomics study. | BMC evolutionary biology 20050101 |
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