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192705-39-8 | 2-Decenoic acid, 2-cyano-, ethyl ester
CAS No: 192705-39-8 Catalog No: AG002G88 MDL No:
Product Description
Catalog Number:
AG002G88
Chemical Name:
2-Decenoic acid, 2-cyano-, ethyl ester
CAS Number:
192705-39-8
Molecular Formula:
C13H21NO2
Molecular Weight:
223.3113
IUPAC Name:
ethyl 2-cyanodec-2-enoate
InChI:
InChI=1S/C13H21NO2/c1-3-5-6-7-8-9-10-12(11-14)13(15)16-4-2/h10H,3-9H2,1-2H3
InChI Key:
XNQWZFPJGCQLQJ-UHFFFAOYSA-N
SMILES:
CCCCCCCC=C(C(=O)OCC)C#N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.316g/mol
Monoisotopic Mass:
223.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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