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Home > Indoles and Oxindole > 41513-78-4
41513-78-4 | 2-(1,3-Dioxoisoindolin-2-yl);benzoic acid
CAS No: 41513-78-4 Catalog No: AG003S8Y MDL No:MFCD00041218
Product Description
Catalog Number:
AG003S8Y
Chemical Name:
2-(1,3-Dioxoisoindolin-2-yl);benzoic acid
CAS Number:
41513-78-4
Molecular Formula:
C15H9NO4
Molecular Weight:
267.2363
MDL Number:
MFCD00041218
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)benzoic acid
InChI:
InChI=1S/C15H9NO4/c17-13-9-5-1-2-6-10(9)14(18)16(13)12-8-4-3-7-11(12)15(19)20/h1-8H,(H,19,20)
InChI Key:
RSKJDIQHYKWJLS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N1C(=O)c2c(C1=O)cccc2
NSC Number:
111178
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.24g/mol
Monoisotopic Mass:
267.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents. | Bioorganic & medicinal chemistry letters 20051201 |
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