chempirical

5-Carboxyoxindole

C9H7NO3CAS 102359-00-2177.16 g/mol

Open in Covalent MOL file
OOHNHO
AmideCarboxylic acidLactam

Properties

Molecular formula
C9H7NO3
Molar mass
177.16 g/mol
Exact mass
177.0426 Da
logP
0.88Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
102359-00-2
SMILES
C1C2=C(C=CC(=C2)C(=O)O)NC1=O
InChIKey
LLLKBUWXODIMEW-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO3/c11-8-4-6-3-5(9(12)13)1-2-7(6)10-8/h1-3H,4H2,(H,10,11)(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 2-Oxindole-5-carboxylic acid

Work with 5-Carboxyoxindole

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

5-Hydroxyoxindole3416-18-059 % similar 5-Chlorooxindole17630-75-055 % similar 5-Bromo-2-oxindole20870-78-455 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-455 % similar 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-154 % similar 2,6-Naphthalenedicarboxylic acid1141-38-446 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one837392-64-045 % similar 1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid4792-29-444 % similar

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

Same formula

2,3-Dihydro-1,4-benzodioxin-6-yl isocyanate100275-94-3 N-Methylisatoic anhydride10328-92-4 5-Nitro-2-indanone116530-60-0 N-(Hydroxymethyl)phthalimide118-29-6 2-Nitrocinnamaldehyde1466-88-2 4-Nitrocinnamaldehyde1734-79-8 5-Hydroxyindole-2-carboxylic acid21598-06-1 6-Nitroindanone24623-24-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook