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13736-79-3 | Benzene, 1-methoxy-2-(methylsulfonyl)-
CAS No: 13736-79-3 Catalog No: AG00136A MDL No:MFCD03789185
Product Description
Catalog Number:
AG00136A
Chemical Name:
Benzene, 1-methoxy-2-(methylsulfonyl)-
CAS Number:
13736-79-3
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
MDL Number:
MFCD03789185
IUPAC Name:
1-methoxy-2-methylsulfonylbenzene
InChI:
InChI=1S/C8H10O3S/c1-11-7-5-3-4-6-8(7)12(2,9)10/h3-6H,1-2H3
InChI Key:
GSTCKFVNJNBRQY-UHFFFAOYSA-N
SMILES:
COc1ccccc1S(=O)(=O)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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