| CAS Number | 893730-29-5 |
| Catalog Number | AG01C064 |
| Chemical Name | 3-formyl-5-methoxy-1-methyl-1H-indole-2-carboxylic acid |
| IUPAC Name | 3-formyl-5-methoxy-1-methylindole-2-carboxylic acid |
| InChI | InChI=1S/C12H11NO4/c1-13-10-4-3-7(17-2)5-8(10)9(6-14)11(13)12(15)16/h3-6H,1-2H3,(H,15,16) |
| InChI Key | JCHYYYMUOBZKKB-UHFFFAOYSA-N |
| MDL Number | MFCD07364691 |
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.2200 |
| SMILES | COC1=CC2=C(N(C(=C2C=O)C(O)=O)C)C=C1 |
| Synonyms | 3-formyl-5-methoxy-1-methyl-1H-indole-2-carboxylic acid,
3-formyl-5-methoxy-1-methylindole-2-carboxylic acid,
893730-29-5,
AC1NGP68,
JCHYYYMUOBZKKB-UHFFFAOYSA-N,
ZINC8417073,
BBL030752,
STL146762,
AKOS004119499,
MCULE-3193241660,
3-Formyl-5-methoxy-1-methyl-1H-indole-2-carboxylic acid, AldrichCPR,
CID4777849,
3-formyl-5-methoxy-1-methyl-indole-2-carboxylic Acid,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.223g/mol |
| Monoisotopic Mass | 233.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number