| CAS Number | 879362-72-8 |
| Catalog Number | AG019PMP |
| Chemical Name | methyl 1-cyclopropyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate |
| IUPAC Name | methyl 1-cyclopropyl-5-hydroxy-2-methylindole-3-carboxylate |
| InChI | InChI=1S/C14H15NO3/c1-8-13(14(17)18-2)11-7-10(16)5-6-12(11)15(8)9-3-4-9/h5-7,9,16H,3-4H2,1-2H3 |
| InChI Key | FPLKUWNSSOMXKP-UHFFFAOYSA-N |
| MDL Number | MFCD08262836 |
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.2738 |
| SMILES | COC(C1C2=C(C=CC(=C2)O)N(C2CC2)C=1C)=O |
| Synonyms | methyl 1-cyclopropyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate,
879362-72-8,
AC1Q41YN,
CTK6I8910,
ZINC8390486,
AKOS009092739,
MCULE-9069286822,
NE25833,
EN300-24361,
Z188745076,
ZINC08390486,
CID9504095,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.278g/mol |
| Monoisotopic Mass | 245.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number