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119533-65-2 | 1-Docosanone, 1-(2-naphthalenyl)-
CAS No: 119533-65-2 Catalog No: AG000IXU MDL No:
Product Description
Catalog Number:
AG000IXU
Chemical Name:
1-Docosanone, 1-(2-naphthalenyl)-
CAS Number:
119533-65-2
Molecular Formula:
C32H50O
Molecular Weight:
450.7388
IUPAC Name:
1-naphthalen-2-yldocosan-1-one
InChI:
InChI=1S/C32H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(33)31-27-26-29-23-21-22-24-30(29)28-31/h21-24,26-28H,2-20,25H2,1H3
InChI Key:
HBQYPQARIZPKGQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.386g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.751g/mol
Monoisotopic Mass:
450.386g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.4
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