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Home > Other Heterocycles > 780821-74-1
780821-74-1 | 7,7'-dihydroxy-2,2',3,3'-tetrahydro-4,4'-spirobi[[1]benzopyran]-2,2'-dione
CAS No: 780821-74-1 Catalog No: AG01B5Y6 MDL No:MFCD06008371
Product Description
Catalog Number:
AG01B5Y6
Chemical Name:
7,7'-dihydroxy-2,2',3,3'-tetrahydro-4,4'-spirobi[[1]benzopyran]-2,2'-dione
CAS Number:
780821-74-1
MDL Number:
MFCD06008371
IUPAC Name:
7,7'-dihydroxy-4,4'-spirobi[3H-chromene]-2,2'-dione
InChI:
InChI=1S/C17H12O6/c18-9-1-3-11-13(5-9)22-15(20)7-17(11)8-16(21)23-14-6-10(19)2-4-12(14)17/h1-6,18-19H,7-8H2
InChI Key:
RMQHSNYXQLJJFO-UHFFFAOYSA-N
SMILES:
O=C1Oc2cc(O)ccc2C2(C1)CC(=O)Oc1c2ccc(c1)O
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.277g/mol
Monoisotopic Mass:
312.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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