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16728-49-7 | Propanenitrile, 3-(octyloxy)-
CAS No: 16728-49-7 Catalog No: AG001X8R MDL No:
Product Description
Catalog Number:
AG001X8R
Chemical Name:
Propanenitrile, 3-(octyloxy)-
CAS Number:
16728-49-7
Molecular Formula:
C11H21NO
Molecular Weight:
183.2905
IUPAC Name:
3-octoxypropanenitrile
InChI:
InChI=1S/C11H21NO/c1-2-3-4-5-6-7-10-13-11-8-9-12/h2-8,10-11H2,1H3
InChI Key:
JUBCYGQFVNMTIM-UHFFFAOYSA-N
SMILES:
CCCCCCCCOCCC#N
EC Number:
240-789-0
UNII:
1Y28X0CVR4
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.295g/mol
Monoisotopic Mass:
183.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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