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Home > Indoles and Oxindole > 65190-77-4
65190-77-4 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-
CAS No: 65190-77-4 Catalog No: AG00H79S MDL No:
Product Description
Catalog Number:
AG00H79S
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-
CAS Number:
65190-77-4
Molecular Formula:
C16H11NO5
Molecular Weight:
297.2622
IUPAC Name:
2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H11NO5/c18-9-5-6-12(13(19)7-9)14(20)8-17-15(21)10-3-1-2-4-11(10)16(17)22/h1-7,18-19H,8H2
InChI Key:
AAFOAJIKSOVZAS-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=O)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.266g/mol
Monoisotopic Mass:
297.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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