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167818-63-5 | 2H-Pyran, tetrahydro-2-methyl-6-(phenylsulfonyl)-
CAS No: 167818-63-5 Catalog No: AG001XMX MDL No:
Product Description
Catalog Number:
AG001XMX
Chemical Name:
2H-Pyran, tetrahydro-2-methyl-6-(phenylsulfonyl)-
CAS Number:
167818-63-5
Molecular Formula:
C12H16O3S
Molecular Weight:
240.3186
IUPAC Name:
2-(benzenesulfonyl)-6-methyloxane
InChI:
InChI=1S/C12H16O3S/c1-10-6-5-9-12(15-10)16(13,14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChI Key:
AFIIKHQFAIXQJB-UHFFFAOYSA-N
SMILES:
CC1CCCC(O1)S(=O)(=O)c1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.317g/mol
Monoisotopic Mass:
240.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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