| CAS Number | 131488-64-7 |
| Catalog Number | AG00HSHJ(AGN-PC-0PJH71) |
| Chemical Name | 2-(1H-Indol-1-yl)propanoic acid |
| IUPAC Name | 2-indol-1-ylpropanoic acid |
| InChI | InChI=1S/C11H11NO2/c1-8(11(13)14)12-7-6-9-4-2-3-5-10(9)12/h2-8H,1H3,(H,13,14) |
| InChI Key | ORDGYGARDALAGC-UHFFFAOYSA-N |
| MDL Number | MFCD11844460 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.2105 |
| SMILES | CC(N1C=CC2=CC=CC=C12)C(O)=O |
| Synonyms | 2-(1H-indol-1-yl)propanoic acid,
131488-64-7,
2-indol-1-yl-propionic acid,
2-indol-1-ylpropanoic acid,
SCHEMBL526316,
Indol-3-alpha-methyl-essigsaure,
DTXSID70589731,
105074-56-4,
2-(1H-Indole-1-yl)propanoic acid,
MFCD11844460,
STL411928,
AKOS000101714,
AKOS022060370,
MCULE-7771418365,
AS-40590,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.214g/mol |
| Monoisotopic Mass | 189.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number