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Home > Aldehydes > 143361-73-3
143361-73-3 | Benzaldehyde, 5-dotetracontyl-2-hydroxy-, oxime
CAS No: 143361-73-3 Catalog No: AG007K78 MDL No:
Product Description
Catalog Number:
AG007K78
Chemical Name:
Benzaldehyde, 5-dotetracontyl-2-hydroxy-, oxime
CAS Number:
143361-73-3
Molecular Formula:
C49H91NO2
Molecular Weight:
726.2523
IUPAC Name:
4-dotetracontyl-2-(hydroxyiminomethyl)phenol
InChI:
InChI=1S/C49H91NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-47-43-44-49(51)48(45-47)46-50-52/h43-46,51-52H,2-42H2,1H3
InChI Key:
HUCGGIIXCVRGMT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCc1ccc(c(c1)C=NO)O
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
725.705g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
726.272g/mol
Monoisotopic Mass:
725.705g/mol
Rotatable Bond Count:
42
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
23.7
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