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127833-44-7 | Octacosanenitrile
CAS No: 127833-44-7 Catalog No: AG000XGH MDL No:
Product Description
Catalog Number:
AG000XGH
Chemical Name:
Octacosanenitrile
CAS Number:
127833-44-7
Molecular Formula:
C28H55N
Molecular Weight:
405.7430
IUPAC Name:
octacosanenitrile
InChI:
InChI=1S/C28H55N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h2-27H2,1H3
InChI Key:
VPYLCZCBHYWZGZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC#N
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.433g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.755g/mol
Monoisotopic Mass:
405.433g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.4
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