| CAS Number | 30448-04-5 |
| Catalog Number | AG00305Q(AGN-PC-00LV1H) |
| Chemical Name | 4,5,6-Trimethoxy-1H-indole |
| IUPAC Name | 4,5,6-trimethoxy-1H-indole |
| InChI | InChI=1S/C11H13NO3/c1-13-9-6-8-7(4-5-12-8)10(14-2)11(9)15-3/h4-6,12H,1-3H3 |
| InChI Key | FNWFSPKNRALFKC-UHFFFAOYSA-N |
| MDL Number | MFCD00049062 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | COc1cc2[nH]ccc2c(OC)c1OC |
| Synonyms | 4,5,6-TRIMETHOXY-1H-INDOLE,
30448-04-5,
4,5,6-TRIMETHOXYINDOLE,
SCHEMBL5567677,
CTK4G5218,
DTXSID30534681,
1H-Indole, 4,5,6-trimethoxy-,
ZINC2564148,
MFCD00049062,
AKOS016383170,
MCULE-1628258533,
AK199126,
4CH-004342,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H317
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number