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Home > Indoles and Oxindole > 1971-49-9
1971-49-9 | 1H-Isoindole-1,3(2H)-dione, 2-acetyl-
CAS No: 1971-49-9 Catalog No: AG002ALU MDL No:MFCD00023054
Product Description
Catalog Number:
AG002ALU
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-acetyl-
CAS Number:
1971-49-9
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD00023054
IUPAC Name:
2-acetylisoindole-1,3-dione
InChI:
InChI=1S/C10H7NO3/c1-6(12)11-9(13)7-4-2-3-5-8(7)10(11)14/h2-5H,1H3
InChI Key:
INZUQGFQRYAKQQ-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(=O)c2c(C1=O)cccc2
NSC Number:
52671
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and screening of cyclooxygenase inhibitory activity of some 1,3-dioxoisoindoline derivatives. | Arzneimittel-Forschung 20110101 |
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