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137540-89-7 | 2-Propanol, 1-(hexadecyloxy)-3-[(4-methoxyphenyl)methoxy]-, (2R)-
CAS No: 137540-89-7 Catalog No: AG0013J5 MDL No:
Product Description
Catalog Number:
AG0013J5
Chemical Name:
2-Propanol, 1-(hexadecyloxy)-3-[(4-methoxyphenyl)methoxy]-, (2R)-
CAS Number:
137540-89-7
Molecular Formula:
C27H48O4
Molecular Weight:
436.6676
IUPAC Name:
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)methoxy]propan-2-ol
InChI:
InChI=1S/C27H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-23-26(28)24-31-22-25-17-19-27(29-2)20-18-25/h17-20,26,28H,3-16,21-24H2,1-2H3/t26-/m1/s1
InChI Key:
YVCHUOXNEWFTHY-AREMUKBSSA-N
SMILES:
CCCCCCCCCCCCCCCCOC[C@H](COCc1ccc(cc1)OC)O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
436.355g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.677g/mol
Monoisotopic Mass:
436.355g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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