| CAS Number | 80129-52-8 |
| Catalog Number | AG0054MR(AGN-PC-002TCF) |
| Chemical Name | 1H-Indole-2-carboxylic acid, 4-hydroxy- |
| IUPAC Name | 4-hydroxy-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H7NO3/c11-8-3-1-2-6-5(8)4-7(10-6)9(12)13/h1-4,10-11H,(H,12,13) |
| InChI Key | IVVRSMJJVHKMFO-UHFFFAOYSA-N |
| MDL Number | MFCD13178446 |
| Molecular Formula | C9H7NO3 |
| Molecular Weight | 177.1568 |
| SMILES | Oc1c2c([nH]c(c2)C(=O)O)ccc1 |
| Synonyms | 4-Hydroxy-1H-indole-2-carboxylic acid,
80129-52-8,
4-Hydroxyindole-2-carboxylic acid,
1H-Indole-2-carboxylic acid, 4-hydroxy-,
4-hydroxy-2-indolecarboxylic acid,
CHEMBL285303,
SCHEMBL2762336,
CTK3E6012,
DTXSID10564764,
CH-004,
ZINC13821299,
AKOS006336175,
MCULE-4034566501,
SB14983,
AN-36465,
FT-0747590,
L-4577,
129H528,
F2158-0635,
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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 | 177.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.159g/mol |
| Monoisotopic Mass | 177.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 73.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number