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Home > Aldehydes > 200714-01-8
200714-01-8 | 1,4-Benzenedicarboxaldehyde, 2,5-didecyl-
CAS No: 200714-01-8 Catalog No: AG002CXG MDL No:
Product Description
Catalog Number:
AG002CXG
Chemical Name:
1,4-Benzenedicarboxaldehyde, 2,5-didecyl-
CAS Number:
200714-01-8
Molecular Formula:
C28H46O2
Molecular Weight:
414.6636
IUPAC Name:
2,5-didecylterephthalaldehyde
InChI:
InChI=1S/C28H46O2/c1-3-5-7-9-11-13-15-17-19-25-21-28(24-30)26(22-27(25)23-29)20-18-16-14-12-10-8-6-4-2/h21-24H,3-20H2,1-2H3
InChI Key:
KLUHUQKTSHAYQB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1cc(C=O)c(cc1C=O)CCCCCCCCCC
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.35g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.674g/mol
Monoisotopic Mass:
414.35g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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