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116394-76-4 | Furan, 2-methyl-5-(methylsulfinyl)-
CAS No: 116394-76-4 Catalog No: AG000CDF MDL No:
Product Description
Catalog Number:
AG000CDF
Chemical Name:
Furan, 2-methyl-5-(methylsulfinyl)-
CAS Number:
116394-76-4
Molecular Formula:
C6H8O2S
Molecular Weight:
144.1915
IUPAC Name:
2-methyl-5-methylsulfinylfuran
InChI:
InChI=1S/C6H8O2S/c1-5-3-4-6(8-5)9(2)7/h3-4H,1-2H3
InChI Key:
FHMPUDHVPMJNDC-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)S(=O)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.188g/mol
Monoisotopic Mass:
144.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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