chempirical

Indoline-3-carboxylic acid

C9H9NO2CAS 39891-70-8163.18 g/mol

Open in Covalent MOL file
NHOHO
Carboxylic acidSecondary amine

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
logP
1.28Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
39891-70-8
SMILES
C1C(C2=CC=CC=C2N1)C(=O)O
InChIKey
RXHBTEVUVWXEBO-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-4,7,10H,5H2,(H,11,12)

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

Work with Indoline-3-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

1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-451 % similar (+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-351 % similar (-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid85977-52-251 % similar 3-Oxo-1-indancarboxylic acid29427-69-849 % similar (+)-Phenylsuccinic acid4036-30-046 % similar (R)-(-)-Phenylsuccinic acid46292-93-746 % similar Phenylsuccinic acid635-51-846 % similar (±)-Indoline-2-carboxylic acid78348-24-045 % similar

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

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone15450-69-8 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7

Elsewhere

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