| CAS Number | 2127037-35-6 |
| Catalog Number | AG01E6MA |
| Chemical Name | cvxIAA |
| IUPAC Name | 2-[5-(3-methoxyphenyl)-1H-indol-3-yl]acetic acid |
| InChI | InChI=1S/C17H15NO3/c1-21-14-4-2-3-11(7-14)12-5-6-16-15(8-12)13(10-18-16)9-17(19)20/h2-8,10,18H,9H2,1H3,(H,19,20) |
| InChI Key | QVAIVXZPAOBKHG-UHFFFAOYSA-N |
| MDL Number | MFCD30782940 |
| Molecular Formula | C17H15NO3 |
| Molecular Weight | 281.3059 |
| SMILES | COC=1C=C(C=CC1)C=1C=C2C(=CNC2=CC1)CC(=O)O |
| Synonyms | 2-(5-(3-methoxyphenyl)-1H-indol-3-yl)acetic acid,
ZINC71631625,
2127037-35-6,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.311g/mol |
| Monoisotopic Mass | 281.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number