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89275-49-0 | 10,12-Hexacosadiynamide, N-(4-hydroxybutyl)-
CAS No: 89275-49-0 Catalog No: AG0041BK MDL No:
Product Description
Catalog Number:
AG0041BK
Chemical Name:
10,12-Hexacosadiynamide, N-(4-hydroxybutyl)-
CAS Number:
89275-49-0
Molecular Formula:
C30H53NO2
Molecular Weight:
459.7473
IUPAC Name:
N-(4-hydroxybutyl)hexacosa-10,12-diynamide
InChI:
InChI=1S/C30H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-30(33)31-28-25-26-29-32/h32H,2-13,18-29H2,1H3,(H,31,33)
InChI Key:
KALWSSHVBLSTNS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCCCO
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.408g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
459.759g/mol
Monoisotopic Mass:
459.408g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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