| CAS Number | 26088-67-5 |
| Catalog Number | AG00I4YV(AGN-PC-0WRA0V) |
| Chemical Name | methyl 2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate |
| IUPAC Name | methyl 2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate |
| InChI | InChI=1S/C14H15NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-5,9,15H,6-8H2,1H3 |
| InChI Key | DCFRCSKESTZADV-UHFFFAOYSA-N |
| MDL Number | MFCD27578315 |
| Molecular Formula | C14H15NO2 |
| Molecular Weight | 229.2744 |
| SMILES | COC(=O)C1CCc2c(C1)c1ccccc1[nH]2 |
| Synonyms | methyl 2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate,
26088-67-5,
SCHEMBL4728062,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.279g/mol |
| Monoisotopic Mass | 229.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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