Home Nitriles 2-propoxyacetonitrile

2-propoxyacetonitrile

CAS No.:
66502-25-8
Catalog Number:
AG019XBO
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
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Product Description
Catalog Number:
AG019XBO
Chemical Name:
2-propoxyacetonitrile
CAS Number:
66502-25-8
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
MDL Number:
MFCD11619266
IUPAC Name:
2-propoxyacetonitrile
InChI:
InChI=1S/C5H9NO/c1-2-4-7-5-3-6/h2,4-5H2,1H3
InChI Key:
PXWNGTUJADMZEQ-UHFFFAOYSA-N
SMILES:
CCCOCC#N
Properties
Complexity:
71.4  
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:
0
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties