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89269-01-2 | BUTYL (E)-2-CYANO-3-(DECYLAMINO)PROP-2-ENOATE
CAS No: 89269-01-2 Catalog No: AG0041JK MDL No:
Product Description
Catalog Number:
AG0041JK
Chemical Name:
BUTYL (E)-2-CYANO-3-(DECYLAMINO)PROP-2-ENOATE
CAS Number:
89269-01-2
Molecular Formula:
C18H32N2O2
Molecular Weight:
308.4589
IUPAC Name:
butyl 2-cyano-3-(decylamino)prop-2-enoate
InChI:
InChI=1S/C18H32N2O2/c1-3-5-7-8-9-10-11-12-13-20-16-17(15-19)18(21)22-14-6-4-2/h16,20H,3-14H2,1-2H3
InChI Key:
HOBGOWPECBTRDB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCN/C=C(/C(=O)OCCCC)\C#N
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.246g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.466g/mol
Monoisotopic Mass:
308.246g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.6
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