Methyl 3-Formylindole-6-carboxylate - CAS 133831-28-4
Catalog: |
BB007823 |
Product Name: |
Methyl 3-Formylindole-6-carboxylate |
CAS: |
133831-28-4 |
Synonyms: |
3-formyl-1H-indole-6-carboxylic acid methyl ester; methyl 3-formyl-1H-indole-6-carboxylate |
IUPAC Name: | methyl 3-formyl-1H-indole-6-carboxylate |
Description: | Methyl 3-Formylindole-6-carboxylate (CAS# 133831-28-4) is a useful research chemical. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)C(=CN2)C=O |
InChI: | InChI=1S/C11H9NO3/c1-15-11(14)7-2-3-9-8(6-13)5-12-10(9)4-7/h2-6,12H,1H3 |
InChI Key: | KRDRROJESQUFMJ-UHFFFAOYSA-N |
Boiling Point: | 404.4 °C at 760 mmHg |
Density: | 1.341 g/cm3 |
Appearance: | Pale reddish-brown to purple powder |
MDL: | MFCD00216479 |
LogP: | 1.76700 |
GHS Hazard Statement: | H315+H320 (50%): Cause skin and eye irritation [Warning Skin corrosion/irritation and serious eye damage/eye irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021300912-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
WO-2021127302-A1 | 2-(1h-indole-3-carbonyl)-thiazole-4-carboxamide derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders | 20191220 |
WO-2021017795-A1 | α,β-UNSATURATED KETONE DERIVATIVE, PREPARATION METHOD AND USE AS MEDICINE | 20190726 |
AU-2017326356-A1 | Hepatitis B core protein modulators | 20160915 |
EP-3512845-A1 | Hepatitis b core protein modulators | 20160915 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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