| CAS Number | 1423024-25-2 |
| Catalog Number | AG01A20C(AGN-PC-0WOTX8) |
| Chemical Name | sodium 2-(2,3-dihydro-1H-indol-1-yl)propanoate |
| IUPAC Name | sodium;2-(2,3-dihydroindol-1-yl)propanoate |
| InChI | InChI=1S/C11H13NO2.Na/c1-8(11(13)14)12-7-6-9-4-2-3-5-10(9)12;/h2-5,8H,6-7H2,1H3,(H,13,14);/q;+1/p-1 |
| InChI Key | IDXZMPROABRAOJ-UHFFFAOYSA-M |
| MDL Number | MFCD22578482 |
| Molecular Formula | C11H12NNaO2 |
| Molecular Weight | 213.2083 |
| SMILES | [Na+].CC(C([O-])=O)N1C2=C(C=CC=C2)CC1 |
| Synonyms | sodium 2-(2,3-dihydro-1H-indol-1-yl)propanoate,
1423024-25-2,
AKOS016905495,
MCULE-5545897566,
NE35784,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.212g/mol |
| Monoisotopic Mass | 213.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number