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16728-51-1 | Propanenitrile, 3-(decyloxy)-
CAS No: 16728-51-1 Catalog No: AG001X8Q MDL No:
Product Description
Catalog Number:
AG001X8Q
Chemical Name:
Propanenitrile, 3-(decyloxy)-
CAS Number:
16728-51-1
Molecular Formula:
C13H25NO
Molecular Weight:
211.3437
IUPAC Name:
3-decoxypropanenitrile
InChI:
InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h2-10,12-13H2,1H3
InChI Key:
VBBZORLTUCTLEO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOCCC#N
EC Number:
240-790-6
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.194g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.349g/mol
Monoisotopic Mass:
211.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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