| CAS Number | 180624-00-4 |
| Catalog Number | AG00226F(AGN-PC-00OMDS) |
| Chemical Name | 1H-Indole-5-carboxylic acid, 7-methyl- |
| IUPAC Name | 7-methyl-1H-indole-5-carboxylic acid |
| InChI | InChI=1S/C10H9NO2/c1-6-4-8(10(12)13)5-7-2-3-11-9(6)7/h2-5,11H,1H3,(H,12,13) |
| InChI Key | OAWWSPFYTYUIHU-UHFFFAOYSA-N |
| MDL Number | MFCD12924655 |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.1840 |
| SMILES | CC=1C=C(C=C2C=CNC12)C(=O)O |
| Synonyms | 7-METHYL-1H-INDOLE-5-CARBOXYLIC ACID,
180624-00-4,
1H-Indole-5-carboxylic acid, 7-methyl-,
7-METHYLINDOLE-5-CARBOXYLIC ACID,
SCHEMBL7926770,
CTK0A6562,
7-methyl-5-indolecarboxilic acid,
DTXSID70570442,
OAWWSPFYTYUIHU-UHFFFAOYSA-N,
CM-380,
MFCD12924655,
ZINC79047725,
AKOS023558498,
FCH1185571,
AM806219,
AS-39666,
CS-0050003,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number