| CAS Number | 764591-64-2 |
| Catalog Number | AG019V2Z(AGN-PC-0WO1VG) |
| Chemical Name | 2-(1-Methyl-2,3-dihydro-1H-indol-3-yl)acetic acid |
| IUPAC Name | 2-(1-methyl-2,3-dihydroindol-3-yl)acetic acid |
| InChI | InChI=1S/C11H13NO2/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14) |
| InChI Key | WREUYWYKNQHWFL-UHFFFAOYSA-N |
| MDL Number | MFCD09035066 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | CN1CC(C2=CC=CC=C12)CC(=O)O |
| Synonyms | 2-(1-methyl-2,3-dihydro-1H-indol-3-yl)acetic acid,
764591-64-2,
AC1Q3ZLD,
1H-Indole-3-acetic acid, 2,3-dihydro-1-methyl-,
AKOS004123060,
AKOS022475316,
NE57474,
EN300-43579,
(1-Methyl-2,3-dihydro-1H-indol-3-yl)acetic acid,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number