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Home > Aldehydes > 123415-45-2
123415-45-2 | 1,4-Benzenedicarboxaldehyde, 2,5-bis(dodecyloxy)-
CAS No: 123415-45-2 Catalog No: AG000KK3 MDL No:
Product Description
Catalog Number:
AG000KK3
Chemical Name:
1,4-Benzenedicarboxaldehyde, 2,5-bis(dodecyloxy)-
CAS Number:
123415-45-2
Molecular Formula:
C32H54O4
Molecular Weight:
502.7688
IUPAC Name:
2,5-didodecoxyterephthalaldehyde
InChI:
InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-35-31-25-30(28-34)32(26-29(31)27-33)36-24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3
InChI Key:
SOQFDIIEMNDHHN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cc(C=O)c(cc1C=O)OCCCCCCCCCCCC
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.402g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
502.78g/mol
Monoisotopic Mass:
502.402g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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