| CAS Number | 932710-64-0 |
| Catalog Number | AG003MU6(AGN-PC-0WQXDD) |
| Chemical Name | 5-Methoxy-4-methylindole-3-carboxaldehyde |
| IUPAC Name | 5-methoxy-4-methyl-1H-indole-3-carbaldehyde |
| InChI | InChI=1S/C11H11NO2/c1-7-10(14-2)4-3-9-11(7)8(6-13)5-12-9/h3-6,12H,1-2H3 |
| InChI Key | UCKZHGYRCZOGRI-UHFFFAOYSA-N |
| MDL Number | MFCD09265112 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.2105 |
| SMILES | COc1ccc2c(c1C)c(C=O)c[nH]2 |
| Synonyms | 5-Methoxy-4-methylindole-3-carboxaldehyde,
932710-64-0,
5-Methoxy-4-methyl-1H-indole-3-carbaldehyde,
ACMC-20am2j,
CTK8C5822,
DTXSID50584880,
ZINC44583841,
AKOS022702330,
TC-168274,
5-Methoxy-4-methylindole-3-carboxaldehyde, 97%,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.214g/mol |
| Monoisotopic Mass | 189.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number