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116834-04-9 | Naphthalene, 2-(octadecyloxy)-
CAS No: 116834-04-9 Catalog No: AG000DA9 MDL No:
Product Description
Catalog Number:
AG000DA9
Chemical Name:
Naphthalene, 2-(octadecyloxy)-
CAS Number:
116834-04-9
Molecular Formula:
C28H44O
Molecular Weight:
396.6484
IUPAC Name:
2-octadecoxynaphthalene
InChI:
InChI=1S/C28H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-29-28-23-22-26-20-17-18-21-27(26)25-28/h17-18,20-23,25H,2-16,19,24H2,1H3
InChI Key:
CUYIFJPIAHKION-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOc1ccc2c(c1)cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.339g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.659g/mol
Monoisotopic Mass:
396.339g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.3
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