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84195-68-6 | (2s,3s)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-dihydroxy-2,3-dihydro-4h-chromen-4-one
CAS No: 84195-68-6 Catalog No: AG004RYU MDL No:
Product Description
Catalog Number:
AG004RYU
Chemical Name:
(2s,3s)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-dihydroxy-2,3-dihydro-4h-chromen-4-one
CAS Number:
84195-68-6
Molecular Formula:
C17H14O6
Molecular Weight:
314.2895
IUPAC Name:
tripotassium;1-[bis(1-sulfonatoethyl)amino]ethanesulfonate
InChI:
InChI=1S/C6H15NO9S3.3K/c1-4(17(8,9)10)7(5(2)18(11,12)13)6(3)19(14,15)16;;;/h4-6H,1-3H3,(H,8,9,10)(H,11,12,13)(H,14,15,16);;;/q;3*+1/p-3
InChI Key:
WLIOXCBCKHVPLL-UHFFFAOYSA-K
SMILES:
Oc1ccc2c(c1)O[C@H]([C@@H](C2=O)O)c1ccc2c(c1)OCCO2
EC Number:
282-374-7
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.859g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
455.635g/mol
Monoisotopic Mass:
454.859g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
200A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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