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873798-26-6 | Ethanone, 1-[3,6-bis(1,1-dimethylethyl)-1-naphthalenyl]-
CAS No: 873798-26-6 Catalog No: AG004NTX MDL No:
Product Description
Catalog Number:
AG004NTX
Chemical Name:
Ethanone, 1-[3,6-bis(1,1-dimethylethyl)-1-naphthalenyl]-
CAS Number:
873798-26-6
Molecular Formula:
C20H26O
Molecular Weight:
282.4198
IUPAC Name:
1-(3,6-ditert-butylnaphthalen-1-yl)ethanone
InChI:
InChI=1S/C20H26O/c1-13(21)18-12-16(20(5,6)7)11-14-10-15(19(2,3)4)8-9-17(14)18/h8-12H,1-7H3
InChI Key:
VCEGXKSLLYDDFU-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(cc2c1ccc(c2)C(C)(C)C)C(C)(C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.198g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.427g/mol
Monoisotopic Mass:
282.198g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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