| CAS Number | 147405-80-9 |
| Catalog Number | AG00AMVP(AGN-PC-0NABXE) |
| Chemical Name | 5-propoxy-1H-indole |
| IUPAC Name | 5-propoxy-1H-indole |
| InChI | InChI=1S/C11H13NO/c1-2-7-13-10-3-4-11-9(8-10)5-6-12-11/h3-6,8,12H,2,7H2,1H3 |
| InChI Key | ZDJYYIGOESXISA-UHFFFAOYSA-N |
| MDL Number | MFCD20232868 |
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.2270 |
| SMILES | CCCOC1=CC2=C(NC=C2)C=C1 |
| Synonyms | 5-propoxy-1H-indole,
5-Propoxy-indole,
147405-80-9,
1H-Indole, 5-propoxy-,
5-n-Propyloxyindole,
SCHEMBL3794813,
ZDJYYIGOESXISA-UHFFFAOYSA-N,
ZINC34449260,
AKOS017532150,
MCULE-9810181090,
NE42652,
Z1562206500,
CID10773594,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.231g/mol |
| Monoisotopic Mass | 175.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number