3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid
• CAS No.: 100394-23-8
• Molecular Formula: C13H13NO5
• DSSTox Substance ID: DTXSID00359444
• Wikidata: Q82140653
• ChEMBL ID: CHEMBL1508899
• Mol file: 100394-23-8.mol

Synonyms:3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid;100394-23-8;CHEMBL1508899;MLS000063848;CBKinase1_005577;CBKinase1_017977;DTXSID00359444;HMS1618N02;HMS2328F05;BDBM50364919;STK192377;AKOS000594525;SMR000075751;BRD-K60037788-001-01-0

Chemical Property of 3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 263.07937252
• Heavy Atom Count: 19
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)NC(=C2CCC(=O)O)C(=O)O