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220980-45-0 | 1,4-Benzenedicarboxaldehyde, 2,5-dioctyl-
CAS No: 220980-45-0 Catalog No: AG007PMB MDL No:
Product Description
Catalog Number:
AG007PMB
Chemical Name:
1,4-Benzenedicarboxaldehyde, 2,5-dioctyl-
CAS Number:
220980-45-0
Molecular Formula:
C24H38O2
Molecular Weight:
358.5573
IUPAC Name:
2,5-dioctylterephthalaldehyde
InChI:
InChI=1S/C24H38O2/c1-3-5-7-9-11-13-15-21-17-24(20-26)22(18-23(21)19-25)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChI Key:
SEOYKLHHMQHQGM-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cc(C=O)c(cc1C=O)CCCCCCCC
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.287g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.566g/mol
Monoisotopic Mass:
358.287g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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