| CAS Number | 191674-95-0 |
| Catalog Number | AG00AC0J(AGN-PC-03SZ8S) |
| Chemical Name | 2-(7-ethyl-1H-indol-3-yl)acetic acid |
| IUPAC Name | 2-(7-ethyl-1H-indol-3-yl)acetic acid |
| InChI | InChI=1S/C12H13NO2/c1-2-8-4-3-5-10-9(6-11(14)15)7-13-12(8)10/h3-5,7,13H,2,6H2,1H3,(H,14,15) |
| InChI Key | KVQHDBXIAODINU-UHFFFAOYSA-N |
| MDL Number | MFCD09965680 |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.2371 |
| SMILES | CCC1=C2C(C(=CN2)CC(O)=O)=CC=C1 |
| Synonyms | 2-(7-ethyl-1H-indol-3-yl)acetic acid,
191674-95-0,
1H-Indole-3-acetic acid, 7-ethyl-,
SCHEMBL6131640,
ZINC11920384,
AKOS011637563,
MCULE-9878259489,
NE30497,
EN300-73466,
F2169-0439,
Z1270400011,
|
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number