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28984-69-2

28984-69-2 | 4,4(5H)-Oxazoledimethanol, 2-(heptadecen-1-yl)-

CAS No: 28984-69-2 Catalog No: AG002V3H MDL No:

Product Description

Catalog Number:
AG002V3H
Chemical Name:
4,4(5H)-Oxazoledimethanol, 2-(heptadecen-1-yl)-
CAS Number:
28984-69-2
Molecular Formula:
C22H41NO3
Molecular Weight:
367.5658
IUPAC Name:
[2-[(E)-heptadec-1-enyl]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21/h16-17,24-25H,2-15,18-20H2,1H3/b17-16+
InChI Key:
XOIFQOFMUVENJH-WUKNDPDISA-N
SMILES:
CCCCCCCCCCCCCCCC=CC1=NC(CO1)(CO)CO
EC Number:
249-355-5

Properties

Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
367.309g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
367.574g/mol
Monoisotopic Mass:
367.309g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  

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