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23276-69-9 | Benzene, 1-methyl-2-(methylsulfonyl)-
CAS No: 23276-69-9 Catalog No: AG002MQW MDL No:MFCD09031074
Product Description
Catalog Number:
AG002MQW
Chemical Name:
Benzene, 1-methyl-2-(methylsulfonyl)-
CAS Number:
23276-69-9
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD09031074
IUPAC Name:
1-methyl-2-methylsulfonylbenzene
InChI:
InChI=1S/C8H10O2S/c1-7-5-3-4-6-8(7)11(2,9)10/h3-6H,1-2H3
InChI Key:
KZBQJUIDAWPMJQ-UHFFFAOYSA-N
SMILES:
Cc1ccccc1S(=O)(=O)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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