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116589-61-8 | Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]-
CAS No: 116589-61-8 Catalog No: AG000CTD MDL No:
Product Description
Catalog Number:
AG000CTD
Chemical Name:
Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]-
CAS Number:
116589-61-8
Molecular Formula:
C13H12O3S
Molecular Weight:
248.2976
IUPAC Name:
1-(4-methylsulfonylnaphthalen-1-yl)ethanone
InChI:
InChI=1S/C13H12O3S/c1-9(14)10-7-8-13(17(2,15)16)12-6-4-3-5-11(10)12/h3-8H,1-2H3
InChI Key:
BPPGPNVDNMBHTG-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c2c1cccc2)S(=O)(=O)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.296g/mol
Monoisotopic Mass:
248.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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