| CAS Number | 870693-10-0 |
| Catalog Number | AG00GUDU |
| Chemical Name | 3-[2-(4-methoxyphenyl)-1h-indol-3-yl]propanoic acid |
| IUPAC Name | 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoic acid |
| InChI | InChI=1S/C18H17NO3/c1-22-13-8-6-12(7-9-13)18-15(10-11-17(20)21)14-4-2-3-5-16(14)19-18/h2-9,19H,10-11H2,1H3,(H,20,21) |
| InChI Key | AYISILBMVSEZSN-UHFFFAOYSA-N |
| MDL Number | MFCD06660847 |
| Molecular Formula | C18H17NO3 |
| Molecular Weight | 295.3325 |
| SMILES | O=C(O)CCC1=C(C2=CC=C(OC)C=C2)NC3=C1C=CC=C3 |
| Synonyms | 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoic Acid,
870693-10-0,
3-(2-(4-Methoxyphenyl)-1H-indol-3-yl)propanoic acid,
AC1OFKP9,
AC1Q4A3N,
CTK7A2695,
HMS1778N11,
ZINC4218559,
MFCD06660847,
AKOS000122832,
MCULE-8522806802,
NE13410,
EN300-14776,
J-511457,
Z104442646,
CID7131111,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.338g/mol |
| Monoisotopic Mass | 295.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number