2,3-Dioxoindoline-7-carboxylic acid

C₉H₅NO₄CAS 25128-35-2191.14 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ketone Lactam

Properties

Molecular formula: C₉H₅NO₄
Molar mass: 191.14 g/mol
Exact mass: 191.0219 Da
logP: 0.52Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

25128-35-2

SMILES

C1=CC2=C(C(=C1)C(=O)O)NC(=O)C2=O

InChIKey

ROODQCZSWXEDJL-UHFFFAOYSA-N

InChI

InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)

Weigh it out

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Work with 2,3-Dioxoindoline-7-carboxylic acid

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

7-Chloroisatin7477-63-662 % similar 7-Bromoisatin20780-74-960 % similar 7-Methylisatin1127-59-958 % similar 7-Fluoroisatin317-20-458 % similar 7-Trifluoromethylisatin391-12-854 % similar Isatin91-56-550 % similar Thiosalicylic acid147-93-349 % similar Hemimellitic acid569-51-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Nitrocoumarin2725-81-7

Elsewhere

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