| CAS Number | 1125-89-9 |
| Catalog Number | AG0091OX(AGN-PC-00NE3C) |
| Chemical Name | 3-methyl-1H-indol-6-ol |
| IUPAC Name | 3-methyl-1H-indol-6-ol |
| InChI | InChI=1S/C9H9NO/c1-6-5-10-9-4-7(11)2-3-8(6)9/h2-5,10-11H,1H3 |
| InChI Key | AXSWRCGZBWBXQD-UHFFFAOYSA-N |
| MDL Number | MFCD12924292 |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.1739 |
| SMILES | Cc1c[nH]c2c1ccc(c2)O |
| Synonyms | 3-methyl-1H-indol-6-ol,
1125-89-9,
1H-Indol-6-ol, 3-methyl-,
6-hydroxyskatole,
6-hydroxy-3-methylindole,
1h-indol-6-ol,3-methyl-,
SCHEMBL2550995,
6-Hydroxy-3-methyl-1H-indole,
AXSWRCGZBWBXQD-UHFFFAOYSA-N,
MFCD12924292,
ZINC34120100,
AKOS006351301,
SB14925,
CS-0051275,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.177g/mol |
| Monoisotopic Mass | 147.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number