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128424-24-8 | 10,12-Pentacosadiynamide, N-phenyl-
CAS No: 128424-24-8 Catalog No: AG000Y2X MDL No:
Product Description
Catalog Number:
AG000Y2X
Chemical Name:
10,12-Pentacosadiynamide, N-phenyl-
CAS Number:
128424-24-8
Molecular Formula:
C31H47NO
Molecular Weight:
449.7110
IUPAC Name:
N-phenylpentacosa-10,12-diynamide
InChI:
InChI=1S/C31H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-31(33)32-30-27-24-23-25-28-30/h23-25,27-28H,2-12,17-22,26,29H2,1H3,(H,32,33)
InChI Key:
PLDBRCRYDPYGEQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)Nc1ccccc1
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.366g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
449.723g/mol
Monoisotopic Mass:
449.366g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.7
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