chempirical

1,3-Dioxo-2-isoindolineaceticacid

C10H7NO4CAS 6296-53-3205.17 g/mol

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OHNOOO
Acid anhydrideAmide

Properties

Molecular formula
C10H7NO4
Molar mass
205.17 g/mol
Exact mass
205.0375 Da
logP
0.96Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6296-53-3
SMILES
CC(=O)NC1=CC=CC2=C1C(=O)OC2=O
InChIKey
PAUAJOABXCGLCN-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO4/c1-5(12)11-7-4-2-3-6-8(7)10(14)15-9(6)13/h2-4H,1H3,(H,11,12)

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Names and synonyms

1 names
  • 3-Acetamidophthalic anhydride

Work with 1,3-Dioxo-2-isoindolineaceticacid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methylphthalic anhydride4792-30-757 % similar 3-Iodophthalic anhydride28418-88-453 % similar 3-Chlorophthalic anhydride117-21-550 % similar 3-Hydroxyphthalic anhydride37418-88-549 % similar 3-Fluorophthalic anhydride652-39-149 % similar Phthalic anhydride85-44-944 % similar 2,3′,3,4′-Biphenyltetracarboxylic dianhydride36978-41-343 % similar 3-Nitrophthalic anhydride641-70-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Indole-2,5-dicarboxylic acid117140-77-9 2-Acetyl-5-nitrobenzo[B]furan23136-39-2 N-Phthaloylglycine4702-13-0 Xanthurenic acid59-00-7

Elsewhere

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