5-Acetylindole - CAS 53330-94-2
Catalog: |
BB046667 |
Product Name: |
5-Acetylindole |
CAS: |
53330-94-2 |
Synonyms: |
Ethanone, 1-(1H-indol-5-yl)-; 5-Acetyl-1H-indole; 1-(1H-Indol-5-yl)ethan-1-one; Acetyl-5-indole |
IUPAC Name: | 1-(1H-indol-5-yl)ethanone |
Description: | 5-Acetylindole (CAS# 53330-94-2 ) is a useful research chemical. |
Molecular Weight: | 159.18 |
Molecular Formula: | C10H9NO |
Canonical SMILES: | CC(=O)C1=CC2=C(C=C1)NC=C2 |
InChI: | InChI=1S/C10H9NO/c1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2-6,11H,1H3 |
InChI Key: | GOFIUEUUROFVMA-UHFFFAOYSA-N |
Boiling Point: | 333.9 ℃ at 760 mmHg |
Melting Point: | 95-96 ℃ |
Purity: | ≥ 97 % |
Density: | 1.193 g/cm3 |
Appearance: | Liquid |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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