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89402-62-0 | 1,2-Benzenedicarboxylic acid, octadecyl tetradecyl ester
CAS No: 89402-62-0 Catalog No: AG003VXC MDL No:
Product Description
Catalog Number:
AG003VXC
Chemical Name:
1,2-Benzenedicarboxylic acid, octadecyl tetradecyl ester
CAS Number:
89402-62-0
Molecular Formula:
C40H70O4
Molecular Weight:
614.9814
IUPAC Name:
2-O-octadecyl 1-O-tetradecyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C40H70O4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-32-36-44-40(42)38-34-30-29-33-37(38)39(41)43-35-31-27-25-23-21-16-14-12-10-8-6-4-2/h29-30,33-34H,3-28,31-32,35-36H2,1-2H3
InChI Key:
YYTBUTWVTALYSI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCC
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
614.527g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
614.996g/mol
Monoisotopic Mass:
614.527g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.7
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