| CAS Number | 628294-72-4 |
| Catalog Number | AG00ISYT(AGN-PC-0T62LV) |
| Chemical Name | ethyl 6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate |
| IUPAC Name | ethyl 6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate |
| InChI | InChI=1S/C16H19NO3/c1-3-20-16(18)10-4-6-14-12(8-10)13-9-11(19-2)5-7-15(13)17-14/h5,7,9-10,17H,3-4,6,8H2,1-2H3 |
| InChI Key | MJBSUFDIRLXCEL-UHFFFAOYSA-N |
| MDL Number | MFCD11501872 |
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.327 |
| SMILES | O=C(OCC)C3(CC=2(C1(=C(C=CC(=C1)OC)NC=2CC3))) |
| Synonyms | ethyl 6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate,
628294-72-4,
SCHEMBL541423,
CHEMBL2004574,
MJBSUFDIRLXCEL-UHFFFAOYSA-N,
MFCD11501872,
AKOS005109096,
KA-0801,
MCULE-7159631293,
KS-0000278P,
FT-0738808,
MLS-0463324.0001,
6-Methoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylic Acid Ethyl Ester,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.332g/mol |
| Monoisotopic Mass | 273.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number