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Home > Aldehydes > 129080-34-8
129080-34-8 | 1,4-Benzenedicarboxaldehyde, 2,5-bis(decyloxy)-
CAS No: 129080-34-8 Catalog No: AG000YU8 MDL No:
Product Description
Catalog Number:
AG000YU8
Chemical Name:
1,4-Benzenedicarboxaldehyde, 2,5-bis(decyloxy)-
CAS Number:
129080-34-8
Molecular Formula:
C28H46O4
Molecular Weight:
446.6624
IUPAC Name:
2,5-didecoxyterephthalaldehyde
InChI:
InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-17-19-31-27-21-26(24-30)28(22-25(27)23-29)32-20-18-16-14-12-10-8-6-4-2/h21-24H,3-20H2,1-2H3
InChI Key:
MQPYZRZPJYMKEQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1cc(C=O)c(cc1C=O)OCCCCCCCCCC
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.34g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.672g/mol
Monoisotopic Mass:
446.34g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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