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288607-13-6 | 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-, hydrogen sulfate
CAS No: 288607-13-6 Catalog No: AG002WVI MDL No:
Product Description
Catalog Number:
AG002WVI
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-, hydrogen sulfate
CAS Number:
288607-13-6
Molecular Formula:
C15H12O8S
Molecular Weight:
352.3160
IUPAC Name:
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;sulfuric acid
InChI:
InChI=1S/C15H10O4.H2O4S/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18;1-5(2,3)4/h1-8,16-17H;(H2,1,2,3,4)
InChI Key:
QPFZRXVFQKUTOR-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.025g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
352.313g/mol
Monoisotopic Mass:
352.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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