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Home > Indoles and Oxindole > 113549-13-6
113549-13-6 | spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CAS No: 113549-13-6 Catalog No: AG00JK5E MDL No:MFCD00176701
Product Description
Catalog Number:
AG00JK5E
Chemical Name:
spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CAS Number:
113549-13-6
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD00176701
IUPAC Name:
spiro[1,3-dioxane-2,3'-1H-indole]-2'-one
InChI:
InChI=1S/C11H11NO3/c13-10-11(14-6-3-7-15-11)8-4-1-2-5-9(8)12-10/h1-2,4-5H,3,6-7H2,(H,12,13)
InChI Key:
FPCFCMNSACXKRQ-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C31OCCCO3)cccc2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Seven 3-methylidene-1H-indol-2(3H)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib. | Acta crystallographica. Section C, Crystal structure communications 20100201 |
| 5'-Chloro-spiro-[1,3-dioxolane-2,3'-indolin]-2'-one: a potential anti-convulsant. | Acta crystallographica. Section E, Structure reports online 20080301 |
| 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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