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Home > Aldehydes > 123440-34-6
123440-34-6 | 1,4-Benzenedicarboxaldehyde, 2,5-bis(octyloxy)-
CAS No: 123440-34-6 Catalog No: AG000KLG MDL No:
Product Description
Catalog Number:
AG000KLG
Chemical Name:
1,4-Benzenedicarboxaldehyde, 2,5-bis(octyloxy)-
CAS Number:
123440-34-6
Molecular Formula:
C24H38O4
Molecular Weight:
390.5561
IUPAC Name:
2,5-dioctoxyterephthalaldehyde
InChI:
InChI=1S/C24H38O4/c1-3-5-7-9-11-13-15-27-23-17-22(20-26)24(18-21(23)19-25)28-16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChI Key:
HBPJKNOOUOGSOG-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc(C=O)c(cc1C=O)OCCCCCCCC
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.277g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.564g/mol
Monoisotopic Mass:
390.277g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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