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129757-77-3

129757-77-3 | 1,4-Benzenedicarboxaldehyde, 2,5-dihexyl-

CAS No: 129757-77-3 Catalog No: AG000TNY MDL No:

Product Description

Catalog Number:
AG000TNY
Chemical Name:
1,4-Benzenedicarboxaldehyde, 2,5-dihexyl-
CAS Number:
129757-77-3
Molecular Formula:
C20H30O2
Molecular Weight:
302.4510
IUPAC Name:
2,5-dihexylterephthalaldehyde
InChI:
InChI=1S/C20H30O2/c1-3-5-7-9-11-17-13-20(16-22)18(14-19(17)15-21)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChI Key:
MCUCVEHSWHSNRW-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(C=O)c(cc1C=O)CCCCCC

Properties

Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.225g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.458g/mol
Monoisotopic Mass:
302.225g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8  

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