| CAS Number | 161156-01-0 |
| Catalog Number | AG019MMY |
| Chemical Name | 4,6,7-Trimethoxy-1H-indole-2-carboxylic acid |
| IUPAC Name | 4,6,7-trimethoxy-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C12H13NO5/c1-16-8-5-9(17-2)11(18-3)10-6(8)4-7(13-10)12(14)15/h4-5,13H,1-3H3,(H,14,15) |
| InChI Key | QVCJMJQXKVYHCL-UHFFFAOYSA-N |
| MDL Number | MFCD02664454 |
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.2353 |
| SMILES | COC1=C(OC)C2=C(C=C(C(O)=O)N2)C(OC)=C1 |
| Synonyms | 4,6,7-Trimethoxy-1H-indole-2-carboxylic acid,
161156-01-0,
ASN 07743704,
AC1MZ3XQ,
AC1Q496R,
SCHEMBL3335123,
CTK6J8996,
ALBB-031283,
ZINC3748667,
AKOS000505711,
MCULE-9885374947,
NE38693,
EN300-15106,
Z380844550,
CID3892087,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.238g/mol |
| Monoisotopic Mass | 251.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number