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157049-12-2 | 1-Propanol, 3-(hexadecyloxy)-2-(methoxymethyl)-, (R)- (9CI)
CAS No: 157049-12-2 Catalog No: AG001P5U MDL No:
Product Description
Catalog Number:
AG001P5U
Chemical Name:
1-Propanol, 3-(hexadecyloxy)-2-(methoxymethyl)-, (R)- (9CI)
CAS Number:
157049-12-2
Molecular Formula:
C21H44O3
Molecular Weight:
344.5723
IUPAC Name:
(2R)-2-(hexadecoxymethyl)-3-methoxypropan-1-ol
InChI:
InChI=1S/C21H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-20-21(18-22)19-23-2/h21-22H,3-20H2,1-2H3/t21-/m1/s1
InChI Key:
DGEPLPRJJFQZEZ-OAQYLSRUSA-N
SMILES:
CCCCCCCCCCCCCCCCOC[C@@H](COC)CO
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
344.329g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.58g/mol
Monoisotopic Mass:
344.329g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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