| CAS Number | 1638764-31-4 |
| Catalog Number | AG001UIB(AGN-PC-0WNGUZ) |
| Chemical Name | Methyl 1-methyl-2-oxo-3H-indole-6-carboxylate |
| IUPAC Name | methyl 1-methyl-2-oxo-3H-indole-6-carboxylate |
| InChI | InChI=1S/C11H11NO3/c1-12-9-5-8(11(14)15-2)4-3-7(9)6-10(12)13/h3-5H,6H2,1-2H3 |
| InChI Key | ABPZGJANFKCPRT-UHFFFAOYSA-N |
| MDL Number | MFCD27987277 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | O=C(C1=CC2=C(C=C1)CC(N2C)=O)OC |
| Synonyms | 1638764-31-4,
Methyl 1-methyl-2-oxo-2,3-dihydro-1H-indole-6-carboxylate,
Methyl 1-methyl-2-oxoindoline-6-carboxylate,
MFCD27987277,
AKOS030628668,
ZINC238403601,
SB17619,
KS-0000065V,
AS-53236,
CS-0011491,
Methyl 1-methyl-2-oxo-3H-indole-6-carboxylate,
1H-Indole-6-carboxylic acid, 2,3-dihydro-1-methyl-2-oxo-, methyl ester,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number