chempirical

Dimethyl indole-2,3-dicarboxylate

C12H11NO4CAS 54781-93-0233.22 g/mol

Open in Covalent MOL file
OOHNOO
Ester

Properties

Molecular formula
C12H11NO4
Molar mass
233.22 g/mol
Exact mass
233.0688 Da
logP
1.74Crippen estimate
Polar surface area
68.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

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
54781-93-0
SMILES
COC(=O)C1=C(NC2=CC=CC=C21)C(=O)OC
InChIKey
JNRXSMOJWKDVHC-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO4/c1-16-11(14)9-7-5-3-4-6-8(7)13-10(9)12(15)17-2/h3-6,13H,1-2H3

Weigh it out

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Work with Dimethyl indole-2,3-dicarboxylate

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

Methyl 1H-indazole-3-carboxylate43120-28-151 % similar Methyl 1H-indole-2-carboxylate1202-04-649 % similar Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-247 % similar Dimethyl phthalate131-11-346 % similar Ethyl 3-bromoindole-2-carboxylate91348-45-746 % similar Methyl 2,6-dichlorobenzoate14920-87-745 % similar Methyl benzoate93-58-344 % similar Methyl 1H-indole-4-carboxylate39830-66-544 % similar

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

Same formula

7-Amino-4-methylcoumarin-3-acetic acid106562-32-7 Ethyl 2-(4'-hydroxyphenyl)-1,3-oxazole-4-carboxylate200400-76-6 Methyl 1,4-dihydro-7-methoxy-4-oxo-6-quinolinecarboxylate205448-65-3 4-Phthalimidobutyric acid3130-75-4 Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate40059-53-8

Elsewhere

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