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881205-81-8 | 4-Hexynamide, N-(phenylmethyl)-2-(phenylmethylene)-
CAS No: 881205-81-8 Catalog No: AG004IGX MDL No:
Product Description
Catalog Number:
AG004IGX
Chemical Name:
4-Hexynamide, N-(phenylmethyl)-2-(phenylmethylene)-
CAS Number:
881205-81-8
Molecular Formula:
C20H19NO
Molecular Weight:
289.3710
IUPAC Name:
N-benzyl-2-benzylidenehex-4-ynamide
InChI:
InChI=1S/C20H19NO/c1-2-3-14-19(15-17-10-6-4-7-11-17)20(22)21-16-18-12-8-5-9-13-18/h4-13,15H,14,16H2,1H3,(H,21,22)
InChI Key:
ILZNOJSXMKMIKJ-UHFFFAOYSA-N
SMILES:
CC#CCC(=Cc1ccccc1)C(=O)NCc1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.378g/mol
Monoisotopic Mass:
289.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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