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26526-76-1 | Octanoic acid, 2-cyano-, ethyl ester
CAS No: 26526-76-1 Catalog No: AG002TKB MDL No:
Product Description
Catalog Number:
AG002TKB
Chemical Name:
Octanoic acid, 2-cyano-, ethyl ester
CAS Number:
26526-76-1
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
IUPAC Name:
ethyl 2-cyanooctanoate
InChI:
InChI=1S/C11H19NO2/c1-3-5-6-7-8-10(9-12)11(13)14-4-2/h10H,3-8H2,1-2H3
InChI Key:
FYITURBQKNVCNJ-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)OCC)C#N
NSC Number:
124630
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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