| CAS Number | 1071432-99-9 |
| Catalog Number | AG01A690(AGN-PC-0WO7DD) |
| Chemical Name | 1-Methylindoline-6-carboxylic acid |
| IUPAC Name | 1-methyl-2,3-dihydroindole-6-carboxylic acid |
| InChI | InChI=1S/C10H11NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-3,6H,4-5H2,1H3,(H,12,13) |
| InChI Key | LFRPPHGMTHMKPU-UHFFFAOYSA-N |
| MDL Number | MFCD20660457 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | CN1CCC2=CC=C(C=C12)C(=O)O |
| Synonyms | 1-methylindoline-6-carboxylic acid,
1071432-99-9,
1-methyl-2,3-dihydro-1H-indole-6-carboxylic acid,
1H-Indole-6-carboxylic acid, 2,3-dihydro-1-methyl-,
SCHEMBL12193492,
LFRPPHGMTHMKPU-UHFFFAOYSA-N,
ZINC82869401,
AKOS022909936,
KS-9477,
NE45648,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number