2-(Ethoxycarbonyl)indole-5-carboxylic Acid - CAS 138731-14-3
Catalog: |
BB008830 |
Product Name: |
2-(Ethoxycarbonyl)indole-5-carboxylic Acid |
CAS: |
138731-14-3 |
Synonyms: |
2-ethoxycarbonyl-1H-indole-5-carboxylic acid; 2-ethoxycarbonyl-1H-indole-5-carboxylic acid |
IUPAC Name: | 2-ethoxycarbonyl-1H-indole-5-carboxylic acid |
Description: | 2-(Ethoxycarbonyl)indole-5-carboxylic Acid (CAS# 138731-14-3) is a useful research chemical. |
Molecular Weight: | 233.22 |
Molecular Formula: | C12H11NO4 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(=O)O |
InChI: | InChI=1S/C12H11NO4/c1-2-17-12(16)10-6-8-5-7(11(14)15)3-4-9(8)13-10/h3-6,13H,2H2,1H3,(H,14,15) |
InChI Key: | CAVYPAYXEMVXMS-UHFFFAOYSA-N |
MDL: | MFCD09027048 |
LogP: | 2.04280 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2012102017-A | Indole compounds | 20090303 |
WO-2010101127-A1 | Indole compound | 20090303 |
CA-2676268-A1 | 5 -amido- (ih- indol- 2 -yl) piperazin-1-yl-methanone derivatives as histamine h3 receptor ligands | 20070207 |
CN-101610998-A | 5-amido-(1H-indoles-2-yl)-piperazine-1-base-ketone derivatives as histamine H 3 receptor ligands | 20070207 |
EP-2118059-A1 | 5 -amido- (ih- indol- 2 -yl) piperazin-1-yl-methanone derivatives as histamine h3 receptor ligands | 20070207 |
PMID | Publication Date | Title | Journal |
19456097 | 20090709 | 5-hydroxyindole-2-carboxylic acid amides: novel histamine-3 receptor inverse agonists for the treatment of obesity | Journal of medicinal chemistry |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.06880783 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 79.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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