| CAS Number | 59908-66-6 |
| Catalog Number | AG00ELBB |
| Chemical Name | 1-propyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 1-propylindole-2-carboxylic acid |
| InChI | InChI=1S/C12H13NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11(13)12(14)15/h3-6,8H,2,7H2,1H3,(H,14,15) |
| InChI Key | NEVFETBXTISVKK-UHFFFAOYSA-N |
| MDL Number | MFCD09037007 |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.2371 |
| SMILES | CCCN1C2=C(C=CC=C2)C=C1C(O)=O |
| Synonyms | 1-propyl-1H-indole-2-carboxylic acid,
59908-66-6,
SCHEMBL700800,
ZINC9372400,
AKOS000262661,
NE37210,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.241g/mol |
| Monoisotopic Mass | 203.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number