| CAS Number | 172513-77-8 |
| Catalog Number | AG00BBIR(AGN-PC-0713GC) |
| Chemical Name | Sodium 1H-indol-2-ylacetate |
| IUPAC Name | sodium;2-(1H-indol-2-yl)acetate |
| InChI | InChI=1S/C10H9NO2.Na/c12-10(13)6-8-5-7-3-1-2-4-9(7)11-8;/h1-5,11H,6H2,(H,12,13);/q;+1/p-1 |
| InChI Key | BEPSIKQQPOTABL-UHFFFAOYSA-M |
| MDL Number | MFCD09787506 |
| Molecular Formula | C10H8NNaO2 |
| Molecular Weight | 197.1658 |
| SMILES | [Na+].[O-]C(=O)CC1=CC2=CC=CC=C2N1 |
| Synonyms | Sodium 1H-indol-2-ylacetate,
172513-77-8,
1H-Indol-2-ylacetic acid sodium salt,
PS-11370,
J-010827,
sodium 2-(1H-indol-2-yl)acetate,
Sodium (1H-indol-2-yl)acetate,
1H-Indole-2-acetic acid (as Na salt),
CTK5I4978,
OR6306A,
ZX-AT001342,
MFCD09787506,
1H-Indole-2-acetic acid sodium salt,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.169g/mol |
| Monoisotopic Mass | 197.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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