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13150-71-5 | Benzene, 1-methyl-3-(methylsulfinyl)-
CAS No: 13150-71-5 Catalog No: AG000ZAK MDL No:MFCD18785713
Product Description
Catalog Number:
AG000ZAK
Chemical Name:
Benzene, 1-methyl-3-(methylsulfinyl)-
CAS Number:
13150-71-5
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
MDL Number:
MFCD18785713
IUPAC Name:
1-methyl-3-methylsulfinylbenzene
InChI:
InChI=1S/C8H10OS/c1-7-4-3-5-8(6-7)10(2)9/h3-6H,1-2H3
InChI Key:
BWKUHXQKUYHJJG-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)S(=O)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.227g/mol
Monoisotopic Mass:
154.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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