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252-72-2 | 6,12-Epoxy-6H,12H-dibenzo[b,f][1,5]dioxocin
CAS No: 252-72-2 Catalog No: AG002QVX MDL No:
Product Description
Catalog Number:
AG002QVX
Chemical Name:
6,12-Epoxy-6H,12H-dibenzo[b,f][1,5]dioxocin
CAS Number:
252-72-2
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
IUPAC Name:
8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
InChI:
InChI=1S/C14H10O3/c1-3-7-11-9(5-1)13-16-12-8-4-2-6-10(12)14(15-11)17-13/h1-8,13-14H
InChI Key:
KNSJCCNMJYXLOL-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C1OC(O2)c2c(O1)cccc2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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