| CAS Number | 875306-18-6 |
| Catalog Number | AG00H2LW(AGN-PC-0H6Z5X) |
| Chemical Name | 5-methyl-1H-indole-7-carboxylic acid |
| IUPAC Name | 5-methyl-1H-indole-7-carboxylic acid |
| InChI | InChI=1S/C10H9NO2/c1-6-4-7-2-3-11-9(7)8(5-6)10(12)13/h2-5,11H,1H3,(H,12,13) |
| InChI Key | VSHXZVNMWRDXSB-UHFFFAOYSA-N |
| MDL Number | MFCD12924455 |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.1840 |
| SMILES | Cc1cc(C(O)=O)c2[nH]ccc2c1 |
| Synonyms | 5-METHYL-1H-INDOLE-7-CARBOXYLIC ACID,
875306-18-6,
1H-Indole-7-carboxylic acid, 5-methyl-,
SCHEMBL987784,
VSHXZVNMWRDXSB-UHFFFAOYSA-N,
MFCD12924455,
ZINC91305595,
AM806218,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.187g/mol |
| Monoisotopic Mass | 175.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number