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13725-45-6 | 1-Propanesulfonic acid, 3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-, potassium salt (1:1)
CAS No: 13725-45-6 Catalog No: AG00130T MDL No:
Product Description
Catalog Number:
AG00130T
Chemical Name:
1-Propanesulfonic acid, 3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-, potassium salt (1:1)
CAS Number:
13725-45-6
Molecular Formula:
C12H11KO6S
Molecular Weight:
322.3754
IUPAC Name:
potassium;3-(2-oxochromen-7-yl)oxypropane-1-sulfonate
InChI:
InChI=1S/C12H12O6S.K/c13-12-5-3-9-2-4-10(8-11(9)18-12)17-6-1-7-19(14,15)16;/h2-5,8H,1,6-7H2,(H,14,15,16);/q;+1/p-1
InChI Key:
QLNVCQPHVBAEAG-UHFFFAOYSA-M
SMILES:
O=c1ccc2c(o1)cc(cc2)OCCCS(=O)(=O)[O-].[K+]
EC Number:
237-292-6
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.991g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.372g/mol
Monoisotopic Mass:
321.991g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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