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89268-93-9 | DECYL (E)-2-CYANO-3-ETHYLAMINO-PROP-2-ENOATE
CAS No: 89268-93-9 Catalog No: AG0041CH MDL No:
Product Description
Catalog Number:
AG0041CH
Chemical Name:
DECYL (E)-2-CYANO-3-ETHYLAMINO-PROP-2-ENOATE
CAS Number:
89268-93-9
Molecular Formula:
C16H28N2O2
Molecular Weight:
280.4057
IUPAC Name:
decyl 2-cyano-3-(ethylamino)prop-2-enoate
InChI:
InChI=1S/C16H28N2O2/c1-3-5-6-7-8-9-10-11-12-20-16(19)15(13-17)14-18-4-2/h14,18H,3-12H2,1-2H3
InChI Key:
DWGXMRYNARWVBV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)/C(=C/NCC)/C#N
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.215g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.412g/mol
Monoisotopic Mass:
280.215g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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