| CAS Number | 132382-20-8 |
| Catalog Number | AG01A2P8 |
| Chemical Name | ethyl 2-(2-oxo-2,3-dihydro-1H-indol-1-yl)acetate |
| IUPAC Name | ethyl 2-(2-oxo-3H-indol-1-yl)acetate |
| InChI | InChI=1S/C12H13NO3/c1-2-16-12(15)8-13-10-6-4-3-5-9(10)7-11(13)14/h3-6H,2,7-8H2,1H3 |
| InChI Key | GMZLKFLAOQRXHO-UHFFFAOYSA-N |
| MDL Number | MFCD06662358 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| NSC Number | 176154 |
| SMILES | CCOC(CN1C2=C(C=CC=C2)CC1=O)=O |
| Synonyms | ethyl 2-(2-oxo-2,3-dihydro-1H-indol-1-yl)acetate,
132382-20-8,
ethyl 2-(2-oxoindolin-1-yl)acetate,
NSC176154,
AC1L6X39,
ZINC1720571,
AKOS033395293,
MCULE-3699226198,
NE49213,
NSC-176154,
ethyl 2-(2-oxo-3H-indol-1-yl)acetate,
Ethyl (2-oxo-2,3-dihydro-1H-indol-1-yl)acetate,
Z1520645050,
CID300802,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number