Ethyl 7-methoxy-1H-indole-2-carboxylate - CAS 20538-12-9
Catalog: |
BB044551 |
Product Name: |
Ethyl 7-methoxy-1H-indole-2-carboxylate |
CAS: |
20538-12-9 |
Synonyms: |
1H-Indole-2-carboxylic acid, 7-methoxy-, ethyl ester; 7-methoxy-1H-indole-2-carboxylic acid ethyl ester; ethyl 7-methoxyindole-2-carboxylate |
IUPAC Name: | ethyl 7-methoxy-1H-indole-2-carboxylate |
Description: | Ethyl 7-methoxy-1H-indole-2-carboxylate (CAS# 20538-12-9 ) is a useful research chemical. |
Molecular Weight: | 219.24 |
Molecular Formula: | C12H13NO3 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C(=CC=C2)OC |
InChI: | InChI=1S/C12H13NO3/c1-3-16-12(14)9-7-8-5-4-6-10(15-2)11(8)13-9/h4-7,13H,3H2,1-2H3 |
InChI Key: | BRDVNJZQPSSLMK-UHFFFAOYSA-N |
Boiling Point: | 380.2±22.0 °C (Predicted) |
Melting Point: | 114-115 °C |
Purity: | ≥ 96 % |
Density: | 1.216 g/cm3 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.08954328 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 51.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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