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143857-36-7 | Benzoic acid, 2-hydroxy-5-octadecyl-, ethyl ester
CAS No: 143857-36-7 Catalog No: AG001IIC MDL No:
Product Description
Catalog Number:
AG001IIC
Chemical Name:
Benzoic acid, 2-hydroxy-5-octadecyl-, ethyl ester
CAS Number:
143857-36-7
Molecular Formula:
C27H46O3
Molecular Weight:
418.6523
IUPAC Name:
ethyl 2-hydroxy-5-octadecylbenzoate
InChI:
InChI=1S/C27H46O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-22-26(28)25(23-24)27(29)30-4-2/h21-23,28H,3-20H2,1-2H3
InChI Key:
LGZKUSLHVFTLEB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCc1ccc(c(c1)C(=O)OCC)O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.345g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.662g/mol
Monoisotopic Mass:
418.345g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.8
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