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247022-53-3 | 1,4-Benzenedicarboxylic acid, 1,4-ditridecyl ester
CAS No: 247022-53-3 Catalog No: AG002P38 MDL No:
Product Description
Catalog Number:
AG002P38
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-ditridecyl ester
CAS Number:
247022-53-3
Molecular Formula:
C34H58O4
Molecular Weight:
530.8219
IUPAC Name:
ditridecyl benzene-1,4-dicarboxylate
InChI:
InChI=1S/C34H58O4/c1-3-5-7-9-11-13-15-17-19-21-23-29-37-33(35)31-25-27-32(28-26-31)34(36)38-30-24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24,29-30H2,1-2H3
InChI Key:
VWGDGKCVAVATJB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCOC(=O)c1ccc(cc1)C(=O)OCCCCCCCCCCCCC
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.434g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.834g/mol
Monoisotopic Mass:
530.434g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.3
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