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849942-19-4 | Naphthacene, 2,3-bis(hexadecyloxy)-
CAS No: 849942-19-4 Catalog No: AG004U3X MDL No:
Product Description
Catalog Number:
AG004U3X
Chemical Name:
Naphthacene, 2,3-bis(hexadecyloxy)-
CAS Number:
849942-19-4
Molecular Formula:
C50H76O2
Molecular Weight:
709.1372
IUPAC Name:
2,3-dihexadecoxytetracene
InChI:
InChI=1S/C50H76O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-51-49-41-47-39-45-37-43-33-29-30-34-44(43)38-46(45)40-48(47)42-50(49)52-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34,37-42H,3-28,31-32,35-36H2,1-2H3
InChI Key:
BLSKSKLZJRCKJG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOc1cc2cc3cc4ccccc4cc3cc2cc1OCCCCCCCCCCCCCCCC
Properties
Complexity:
744
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
708.585g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
709.156g/mol
Monoisotopic Mass:
708.585g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.6
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