Ethyl 4,5,6,7-Tetrahydro-1,3-dimethyl-4-oxo-1H-indole-2-carboxylate - CAS 14006-82-7
Catalog: |
BB056042 |
Product Name: |
Ethyl 4,5,6,7-Tetrahydro-1,3-dimethyl-4-oxo-1H-indole-2-carboxylate |
CAS: |
14006-82-7 |
Synonyms: |
ethyl 1,3-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate; ethyl 1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate; 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-1,3-dimethyl-4-oxo-, ethyl ester |
IUPAC Name: | ethyl 1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate |
Molecular Weight: | 235.27 |
Molecular Formula: | C13H17NO3 |
Canonical SMILES: | CCOC(=O)C1=C(C2=C(N1C)CCCC2=O)C |
InChI: | InChI=1S/C13H17NO3/c1-4-17-13(16)12-8(2)11-9(14(12)3)6-5-7-10(11)15/h4-7H2,1-3H3 |
InChI Key: | AISFUVKQJOHZDN-UHFFFAOYSA-N |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.1208434 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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