| CAS Number | 52531-12-1 |
| Catalog Number | AG00D8OW(AGN-PC-003PKQ) |
| Chemical Name | 5-Ethyl-1H-indole-3-acetic acid |
| IUPAC Name | 2-(5-ethyl-1H-indol-3-yl)acetic acid |
| InChI | InChI=1S/C12H13NO2/c1-2-8-3-4-11-10(5-8)9(7-13-11)6-12(14)15/h3-5,7,13H,2,6H2,1H3,(H,14,15) |
| InChI Key | ZWXOHBRBIAQHFP-UHFFFAOYSA-N |
| MDL Number | MFCD00127887 |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.2371 |
| SMILES | CCc1ccc2c(c1)c(c[nH]2)CC(=O)O |
| Synonyms | 5-ethylindole-3-acetic acid,
52531-12-1,
2-(5-ethyl-1H-indol-3-yl)acetic acid,
5-ethyl-1H-Indole-3-acetic acid,
1H-Indole-3-aceticacid, 5-ethyl-,
E-7900,
MFCD00127887,
5-ethylindole-3acetic acid,
CHEMBL397348,
SCHEMBL6131655,
CTK1G9225,
DTXSID70568046,
ZINC2581993,
5846AH,
AKOS022420933,
ACM52531121,
DB-071541,
FT-0620381,
(5-ETHYL-1H-INDOL-3-YL)ACETIC ACID,
C12H13NO2,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.241g/mol |
| Monoisotopic Mass | 203.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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