| CAS Number | 926259-58-7 |
| Catalog Number | AG019XCY |
| Chemical Name | 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]propanoic acid |
| IUPAC Name | 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]propanoic acid |
| InChI | InChI=1S/C19H19NO4/c1-23-12-7-8-15(17(11-12)24-2)19-14(9-10-18(21)22)13-5-3-4-6-16(13)20-19/h3-8,11,20H,9-10H2,1-2H3,(H,21,22) |
| InChI Key | WEVWBIJISCZDAJ-UHFFFAOYSA-N |
| MDL Number | MFCD09040962 |
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.3585 |
| SMILES | COC1=CC(OC)=C(C2=C(CCC(O)=O)C3=C(C=CC=C3)N2)C=C1 |
| Synonyms | 3-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]propanoic acid,
926259-58-7,
AC1Q48YX,
CTK7A1231,
ZINC21948598,
AKOS000123252,
MCULE-1178863370,
NE14128,
EN300-54683,
Z234894003,
|
| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.364g/mol |
| Monoisotopic Mass | 325.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number