Ethyl Indole-4-acetate - CAS 84401-16-1
Catalog: |
BB065676 |
Product Name: |
Ethyl Indole-4-acetate |
CAS: |
84401-16-1 |
Synonyms: |
ethyl 2-(1H-indol-4-yl)acetate; 4-(carboethoxymethyl)indole |
IUPAC Name: | ethyl 2-(1H-indol-4-yl)acetate |
Molecular Weight: | 203.24 |
Molecular Formula: | C12H13NO2 |
Canonical SMILES: | CCOC(=O)CC1=C2C=CNC2=CC=C1 |
InChI: | InChI=1S/C12H13NO2/c1-2-15-12(14)8-9-4-3-5-11-10(9)6-7-13-11/h3-7,13H,2,8H2,1H3 |
InChI Key: | OASDTCPDBXIXJW-UHFFFAOYSA-N |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.094628657 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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