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6151-25-3 | 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate
CAS No: 6151-25-3 Catalog No: AG0036ZG MDL No:MFCD00149487
Product Description
Catalog Number:
AG0036ZG
Chemical Name:
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate
CAS Number:
6151-25-3
Molecular Formula:
C15H14O9
Molecular Weight:
338.2663
MDL Number:
MFCD00149487
IUPAC Name:
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate
InChI:
InChI=1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2
InChI Key:
GMGIWEZSKCNYSW-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O
UNII:
53B03V78A6
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.064g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
338.268g/mol
Monoisotopic Mass:
338.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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