methyl 1-methyl-1H-indole-3-carboxylate - CAS 108438-43-3
Catalog: |
BB047013 |
Product Name: |
methyl 1-methyl-1H-indole-3-carboxylate |
CAS: |
108438-43-3 |
Synonyms: |
1H-Indole-3-carboxylic acid, 1-methyl-, methyl ester; 1-methylindole-3-carboxylic acid methyl ester |
IUPAC Name: | methyl 1-methylindole-3-carboxylate |
Description: | methyl 1-methyl-1H-indole-3-carboxylate (CAS# 108438-43-3 ) is a useful research chemical. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CN1C=C(C2=CC=CC=C21)C(=O)OC |
InChI: | InChI=1S/C11H11NO2/c1-12-7-9(11(13)14-2)8-5-3-4-6-10(8)12/h3-7H,1-2H3 |
InChI Key: | RAIZQIUZLCMHAK-UHFFFAOYSA-N |
Boiling Point: | 320.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.14 g/cm3 |
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: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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