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2-hydroxyvaleronitrile

CAS No.:
5699-72-9
Catalog Number:
AG00ED3H
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
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Product Description
Catalog Number:
AG00ED3H
Chemical Name:
2-hydroxyvaleronitrile
CAS Number:
5699-72-9
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
MDL Number:
MFCD09838877
IUPAC Name:
2-hydroxypentanenitrile
InChI:
InChI=1S/C5H9NO/c1-2-3-5(7)4-6/h5,7H,2-3H2,1H3
InChI Key:
AANFRDGJHYLLAE-UHFFFAOYSA-N
SMILES:
CCCC(C#N)O
EC Number:
227-182-6
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:
0.6  
Properties