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139649-85-7

139649-85-7 | Tricosanamide, N-[2-hydroxy-1-(hydroxymethyl)-3,7-dodecadien-1-yl]-

CAS No: 139649-85-7 Catalog No: AG001BFC MDL No:

Product Description

Catalog Number:
AG001BFC
Chemical Name:
Tricosanamide, N-[2-hydroxy-1-(hydroxymethyl)-3,7-dodecadien-1-yl]-
CAS Number:
139649-85-7
Molecular Formula:
C36H69NO3
Molecular Weight:
563.9380
IUPAC Name:
N-(1,3-dihydroxytrideca-4,8-dien-2-yl)tricosanamide
InChI:
InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-12-10-8-6-4-2/h10,12,29,31,34-35,38-39H,3-9,11,13-28,30,32-33H2,1-2H3,(H,37,40)
InChI Key:
OBAZNZBIYQQIEC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(C(C=CCCC=CCCCC)O)CO

Properties

Complexity:
574  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
563.528g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
563.952g/mol
Monoisotopic Mass:
563.528g/mol
Rotatable Bond Count:
31  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
2  
XLogP3:
13  

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