6-Methoxyindole-3-acetic acid - CAS 103986-22-7
Catalog: |
BB046662 |
Product Name: |
6-Methoxyindole-3-acetic acid |
CAS: |
103986-22-7 |
Synonyms: |
1H-Indole-3-acetic acid, 6-methoxy-; 6-Methoxy-1H-indole-3-acetic acid |
IUPAC Name: | 2-(6-methoxy-1H-indol-3-yl)acetic acid |
Description: | 6-Methoxyindole-3-acetic acid (CAS# 103986-22-7 ) is a useful research chemical. |
Molecular Weight: | 205.21 |
Molecular Formula: | C11H11NO3 |
Canonical SMILES: | COC1=CC2=C(C=C1)C(=CN2)CC(=O)O |
InChI: | InChI=1S/C11H11NO3/c1-15-8-2-3-9-7(4-11(13)14)6-12-10(9)5-8/h2-3,5-6,12H,4H2,1H3,(H,13,14) |
InChI Key: | FRLCWLTTZFMZJI-UHFFFAOYSA-N |
Boiling Point: | 445.9±30.0 °C (Predicted) |
Melting Point: | 163-164 °C (dec.) |
Purity: | ≥ 95 % |
Density: | 1.338±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Methanol, Water |
Appearance: | Crystalline powder |
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: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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