Indole-4-carboxylic acid - CAS 2124-55-2
Catalog: |
BB016726 |
Product Name: |
Indole-4-carboxylic acid |
CAS: |
2124-55-2 |
Synonyms: |
1H-indole-4-carboxylic acid |
IUPAC Name: | 1H-indole-4-carboxylic acid |
Description: | Indole-4-carboxylic acid (CAS# 2124-55-2) is a useful research chemical. |
Molecular Weight: | 161.16 |
Molecular Formula: | C9H7NO2 |
Canonical SMILES: | C1=CC(=C2C=CNC2=C1)C(=O)O |
InChI: | InChI=1S/C9H7NO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,(H,11,12) |
InChI Key: | ROGHUJUFCRFUSO-UHFFFAOYSA-N |
Boiling Point: | 419.6 °C at 760 mmHg |
Melting Point: | 213-214 °C |
Purity: | 95 % |
Density: | 1.408 g/cm3 |
Appearance: | Beige powder |
Storage: | Keep Cold |
MDL: | MFCD00009739 |
LogP: | 1.86610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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 |
WO-2021201126-A1 | Amide compound or salt thereof, pharmaceutical composition and histone deacetylase inhibitor | 20200331 |
US-2021301175-A1 | Polishing composition | 20200330 |
CN-111150173-A | Shock attenuation sole and shock attenuation shoes | 20200121 |
CN-111150196-A | Electronic device package containing dilatant component | 20200121 |
CN-111166031-A | Dilatancy nature electronic product protective sheath/shell | 20200121 |
PMID | Publication Date | Title | Journal |
22425563 | 20120415 | Prospective acetylcholinesterase inhibitory activity of indole and its analogs | Bioorganic & medicinal chemistry letters |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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