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Home > Indoles and Oxindole > 1914-21-2
1914-21-2 | 1H-Isoindole-1,3(2H)-dione, 2-ethoxy-
CAS No: 1914-21-2 Catalog No: AG002F7W MDL No:MFCD00517026
Product Description
Catalog Number:
AG002F7W
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-ethoxy-
CAS Number:
1914-21-2
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD00517026
IUPAC Name:
2-ethoxyisoindole-1,3-dione
InChI:
InChI=1S/C10H9NO3/c1-2-14-11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3
InChI Key:
SJKISZSZWWOLCF-UHFFFAOYSA-N
SMILES:
CCON1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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