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14633-48-8 | Benzene, [(cyclopentylsulfonyl)methyl]-
CAS No: 14633-48-8 Catalog No: AG001DX0 MDL No:
Product Description
Catalog Number:
AG001DX0
Chemical Name:
Benzene, [(cyclopentylsulfonyl)methyl]-
CAS Number:
14633-48-8
Molecular Formula:
C12H16O2S
Molecular Weight:
224.3192
IUPAC Name:
cyclopentylsulfonylmethylbenzene
InChI:
InChI=1S/C12H16O2S/c13-15(14,12-8-4-5-9-12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChI Key:
LNOUVIYTUVIVFS-UHFFFAOYSA-N
SMILES:
O=S(=O)(C1CCCC1)Cc1ccccc1
NSC Number:
140302
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.318g/mol
Monoisotopic Mass:
224.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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