| CAS Number | 1584160-66-6 |
| Catalog Number | AG01B897 |
| Chemical Name | 3-(2-Methoxy-2-oxoethyl)-1H-indole-2-carboxylic acid |
| IUPAC Name | 3-(2-methoxy-2-oxoethyl)-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C12H11NO4/c1-17-10(14)6-8-7-4-2-3-5-9(7)13-11(8)12(15)16/h2-5,13H,6H2,1H3,(H,15,16) |
| InChI Key | UFNYAHNUFYEDHB-UHFFFAOYSA-N |
| MDL Number | MFCD28383742 |
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.2200 |
| SMILES | COC(CC1C2=C(C=CC=C2)NC=1C(O)=O)=O |
| Synonyms | 3-(2-methoxy-2-oxoethyl)-1H-indole-2-carboxylic acid,
1584160-66-6,
SCHEMBL7905354,
UFNYAHNUFYEDHB-UHFFFAOYSA-N,
ZINC144496353,
1H-Indole-3-acetic acid, 2-carboxy-, methyl ester,
|
| Complexity | 318 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.223g/mol |
| Monoisotopic Mass | 233.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number