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113051-66-4 | 4,4(5H)-Oxazoledimethanol, 2-(9-octadecenyl)-
CAS No: 113051-66-4 Catalog No: AG007RG5 MDL No:
Product Description
Catalog Number:
AG007RG5
Chemical Name:
4,4(5H)-Oxazoledimethanol, 2-(9-octadecenyl)-
CAS Number:
113051-66-4
Molecular Formula:
C23H43NO3
Molecular Weight:
381.5924
IUPAC Name:
[4-(hydroxymethyl)-2-octadec-9-enyl-5H-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24-23(19-25,20-26)21-27-22/h9-10,25-26H,2-8,11-21H2,1H3
InChI Key:
LIIDCBGBWOKDEO-UHFFFAOYSA-N
SMILES:
CCCCCCCCC=CCCCCCCCCC1=NC(CO1)(CO)CO
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.324g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.601g/mol
Monoisotopic Mass:
381.324g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.3
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