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Home > Indoles and Oxindole > 27328-34-3
27328-34-3 | 1H-Isoindole-1,3(2H)-dione,2-(2,2-dimethoxyethyl)-
CAS No: 27328-34-3 Catalog No: AG007L6L MDL No:
Product Description
Catalog Number:
AG007L6L
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-(2,2-dimethoxyethyl)-
CAS Number:
27328-34-3
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
2-(2,2-dimethoxyethyl)isoindole-1,3-dione
InChI:
InChI=1S/C12H13NO4/c1-16-10(17-2)7-13-11(14)8-5-3-4-6-9(8)12(13)15/h3-6,10H,7H2,1-2H3
InChI Key:
HDSDOJMUZFFCFU-UHFFFAOYSA-N
SMILES:
COC(CN1C(=O)c2c(C1=O)cccc2)OC
EC Number:
248-412-1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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