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85851-76-9 | 1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(4-methyloctyl) ester
CAS No: 85851-76-9 Catalog No: AG004XDX MDL No:
Product Description
Catalog Number:
AG004XDX
Chemical Name:
1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-(4-methyloctyl) ester
CAS Number:
85851-76-9
Molecular Formula:
C26H42O4
Molecular Weight:
418.6093
IUPAC Name:
2-O-(2,5-dimethylheptyl) 1-O-(4-methyloctyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C26H42O4/c1-6-8-12-21(4)13-11-18-29-25(27)23-14-9-10-15-24(23)26(28)30-19-22(5)17-16-20(3)7-2/h9-10,14-15,20-22H,6-8,11-13,16-19H2,1-5H3
InChI Key:
NXXILHVVOZJPEM-UHFFFAOYSA-N
SMILES:
CCCCC(CCCOC(=O)c1ccccc1C(=O)OCC(CCC(CC)C)C)C
EC Number:
288-635-1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.308g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.618g/mol
Monoisotopic Mass:
418.308g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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