| CAS Number | 138328-27-5 |
| Catalog Number | AG0018JR(AGN-PC-09LIUJ) |
| Chemical Name | 1-Methyl-2-Oxoindoline-6-Carboxylic Acid |
| IUPAC Name | 1-methyl-2-oxo-3H-indole-6-carboxylic acid |
| InChI | InChI=1S/C10H9NO3/c1-11-8-4-7(10(13)14)3-2-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,13,14) |
| InChI Key | SXEPPYTUCBLQGT-UHFFFAOYSA-N |
| MDL Number | MFCD17015858 |
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.1834 |
| SMILES | CN1C(=O)CC2=CC=C(C=C12)C(O)=O |
| Synonyms | 1-Methyl-2-oxoindoline-6-carboxylic acid,
138328-27-5,
1-METHYL-2-OXO-2,3-DIHYDRO-1H-INDOLE-6-CARBOXYLIC ACID,
SCHEMBL19329581,
CTK8E2317,
KS-000002VJ,
MFCD17015858,
ZINC44682244,
AKOS022914868,
PB27066,
AS-33418,
TC-072491,
1-methyl-2-oxo-3H-indole-6-carboxylic acid,
CS-0052453,
Q-3270,
Z2510258126,
1H-Indole-6-carboxylic acid, 2,3-dihydro-1-methyl-2-oxo-,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.186g/mol |
| Monoisotopic Mass | 191.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number