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175683-21-3 | 1,3-Propanediol, 2-hexadecyl-2-(hydroxymethyl)-
CAS No: 175683-21-3 Catalog No: AG002142 MDL No:
Product Description
Catalog Number:
AG002142
Chemical Name:
1,3-Propanediol, 2-hexadecyl-2-(hydroxymethyl)-
CAS Number:
175683-21-3
Molecular Formula:
C20H42O3
Molecular Weight:
330.5457
IUPAC Name:
2-hexadecyl-2-(hydroxymethyl)propane-1,3-diol
InChI:
InChI=1S/C20H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17-21,18-22)19-23/h21-23H,2-19H2,1H3
InChI Key:
LJPZFLMYVDXBLO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(CO)(CO)CO
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.313g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.553g/mol
Monoisotopic Mass:
330.313g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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