1,3-Dioxo-2-isoindolineaceticacid

C₁₀H₇NO₄CAS 6296-53-3205.17 g/mol

Open in Covalent MOL file

Acid anhydride Amide

Properties

Molecular formula: C₁₀H₇NO₄
Molar mass: 205.17 g/mol
Exact mass: 205.0375 Da
logP: 0.96Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers
H413 May cause long lasting harmful effects to aquatic life33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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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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