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156737-65-4 | 2-Propanol, 1-(hexadecyloxy)-3-(4-methoxyphenoxy)-, (2R)-
CAS No: 156737-65-4 Catalog No: AG001OXO MDL No:
Product Description
Catalog Number:
AG001OXO
Chemical Name:
2-Propanol, 1-(hexadecyloxy)-3-(4-methoxyphenoxy)-, (2R)-
CAS Number:
156737-65-4
Molecular Formula:
C26H46O4
Molecular Weight:
422.6410
IUPAC Name:
(2R)-1-hexadecoxy-3-(4-methoxyphenoxy)propan-2-ol
InChI:
InChI=1S/C26H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-22-24(27)23-30-26-19-17-25(28-2)18-20-26/h17-20,24,27H,3-16,21-23H2,1-2H3/t24-/m1/s1
InChI Key:
XNTHFVKFSCTXNY-XMMPIXPASA-N
SMILES:
CCCCCCCCCCCCCCCCOC[C@H](COc1ccc(cc1)OC)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
422.34g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.65g/mol
Monoisotopic Mass:
422.34g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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