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102255-53-8 | Benzoic acid, 4-(decyloxy)-, 4-(decyloxy)phenyl ester
CAS No: 102255-53-8 Catalog No: AG00071D MDL No:
Product Description
Catalog Number:
AG00071D
Chemical Name:
Benzoic acid, 4-(decyloxy)-, 4-(decyloxy)phenyl ester
CAS Number:
102255-53-8
Molecular Formula:
C33H50O4
Molecular Weight:
510.7477
IUPAC Name:
(4-decoxyphenyl) 4-decoxybenzoate
InChI:
InChI=1S/C33H50O4/c1-3-5-7-9-11-13-15-17-27-35-30-21-19-29(20-22-30)33(34)37-32-25-23-31(24-26-32)36-28-18-16-14-12-10-8-6-4-2/h19-26H,3-18,27-28H2,1-2H3
InChI Key:
PTJSSICMBITBIF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OCCCCCCCCCC
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.371g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
510.759g/mol
Monoisotopic Mass:
510.371g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.3
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