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141125-22-6 | Undecanoic acid, 2-(4-dodecylphenyl)-5-benzoxazolyl ester
CAS No: 141125-22-6 Catalog No: AG001FYD MDL No:
Product Description
Catalog Number:
AG001FYD
Chemical Name:
Undecanoic acid, 2-(4-dodecylphenyl)-5-benzoxazolyl ester
CAS Number:
141125-22-6
Molecular Formula:
C36H53NO3
Molecular Weight:
547.8109
IUPAC Name:
[2-(4-dodecylphenyl)-1,3-benzoxazol-5-yl] undecanoate
InChI:
InChI=1S/C36H53NO3/c1-3-5-7-9-11-13-14-15-17-19-21-30-23-25-31(26-24-30)36-37-33-29-32(27-28-34(33)40-36)39-35(38)22-20-18-16-12-10-8-6-4-2/h23-29H,3-22H2,1-2H3
InChI Key:
ACDRJCIYEDLEFC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(cc1)c1oc2c(n1)cc(cc2)OC(=O)CCCCCCCCCC
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
547.403g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
547.824g/mol
Monoisotopic Mass:
547.403g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14
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