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90926-25-3 | 1-methyl-4-(propylsulfonyl)benzene
CAS No: 90926-25-3 Catalog No: AG006GFB MDL No:MFCD02323308
Product Description
Catalog Number:
AG006GFB
Chemical Name:
1-methyl-4-(propylsulfonyl)benzene
CAS Number:
90926-25-3
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
MDL Number:
MFCD02323308
IUPAC Name:
1-methyl-4-propylsulfonylbenzene
InChI:
InChI=1S/C10H14O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChI Key:
UUWYUBKTWPLKKD-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)c1ccc(cc1)C
NSC Number:
140146
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.28g/mol
Monoisotopic Mass:
198.071g/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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