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14524-21-1 | 4,4(5H)-Oxazoledimethanol, 2-(8-heptadecen-1-yl)-
CAS No: 14524-21-1 Catalog No: AG001KPZ MDL No:
Product Description
Catalog Number:
AG001KPZ
Chemical Name:
4,4(5H)-Oxazoledimethanol, 2-(8-heptadecen-1-yl)-
CAS Number:
14524-21-1
Molecular Formula:
C22H41NO3
Molecular Weight:
367.5658
IUPAC Name:
[2-heptadec-8-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/h9-10,24-25H,2-8,11-20H2,1H3
InChI Key:
PMKWOEMFPKQBRI-UHFFFAOYSA-N
SMILES:
CCCCCCCCC=CCCCCCCCC1=NC(CO1)(CO)CO
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
5.8
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