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83058-94-0 | 1,3,4-oxadiazol-2-ol, 5-(2-benzoxazolyl)-
CAS No: 83058-94-0 Catalog No: AG004X4P MDL No:
Product Description
Catalog Number:
AG004X4P
Chemical Name:
1,3,4-oxadiazol-2-ol, 5-(2-benzoxazolyl)-
CAS Number:
83058-94-0
Molecular Formula:
C9H5N3O3
Molecular Weight:
203.1543
IUPAC Name:
(1S,5R,6R,9R)-11,11-dimethyl-2-methylidene-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
InChI:
InChI=1S/C15H20O3/c1-8-12(16)6-11-9-4-5-10(13(17)18)15(8,11)7-14(9,2)3/h9-11H,1,4-7H2,2-3H3,(H,17,18)/t9-,10+,11-,15-/m1/s1
InChI Key:
SMAWCSOVJJHIOI-JNIYBQFBSA-N
SMILES:
Oc1nnc(o1)c1nc2c(o1)cccc2
UNII:
N3373G7D58
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| The anticancer activity of the fungal metabolite terrecyclic acid A is associated with modulation of multiple cellular stress response pathways. | Molecular cancer therapeutics 20051001 |
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