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820209-48-1 | 2H-1-Benzopyran-2-one, 6-methyl-4-[(methylsulfonyl)oxy]-
CAS No: 820209-48-1 Catalog No: AG0053QQ MDL No:
Product Description
Catalog Number:
AG0053QQ
Chemical Name:
2H-1-Benzopyran-2-one, 6-methyl-4-[(methylsulfonyl)oxy]-
CAS Number:
820209-48-1
Molecular Formula:
C11H10O5S
Molecular Weight:
254.2591
IUPAC Name:
(6-methyl-2-oxochromen-4-yl) methanesulfonate
InChI:
InChI=1S/C11H10O5S/c1-7-3-4-9-8(5-7)10(6-11(12)15-9)16-17(2,13)14/h3-6H,1-2H3
InChI Key:
ZCRBWNPSCXNZPX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(cc(=O)o2)OS(=O)(=O)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.256g/mol
Monoisotopic Mass:
254.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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