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72826-67-6 | 9,12-Octadecadienamide,N-[2-hydroxy-1-(hydroxymethyl)ethyl]-, (9Z,12Z)-
CAS No: 72826-67-6 Catalog No: AG005EK6 MDL No:
Product Description
Catalog Number:
AG005EK6
Chemical Name:
9,12-Octadecadienamide,N-[2-hydroxy-1-(hydroxymethyl)ethyl]-, (9Z,12Z)-
CAS Number:
72826-67-6
Molecular Formula:
C21H39NO3
Molecular Weight:
353.5393
IUPAC Name:
N-(1,3-dihydroxypropan-2-yl)octadeca-9,12-dienamide
InChI:
InChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)22-20(18-23)19-24/h6-7,9-10,20,23-24H,2-5,8,11-19H2,1H3,(H,22,25)
InChI Key:
XGSLPUWYSJWLKG-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(CO)CO
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.293g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
353.547g/mol
Monoisotopic Mass:
353.293g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5
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