| CAS Number | 1341038-75-2 |
| Catalog Number | AG00HT7C(AGN-PC-0WG4JQ) |
| Chemical Name | ethyl (1R,3S)-2'-oxo-1',2'-dihydrospiro[cyclopropane-1,3'-indole]-3-carboxylate |
| IUPAC Name | ethyl (1'S,3R)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate |
| InChI | InChI=1S/C13H13NO3/c1-2-17-11(15)9-7-13(9)8-5-3-4-6-10(8)14-12(13)16/h3-6,9H,2,7H2,1H3,(H,14,16)/t9-,13+/m1/s1 |
| InChI Key | YWDXJHCEEUYKQN-RNCFNFMXSA-N |
| MDL Number | MFCD28390498 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.2472 |
| SMILES | CCOC(=O)[C@H]1C[C@@]11C(=O)Nc2ccccc12 |
| Synonyms | 1341038-75-2,
Racemic-(1R,2S)-Ethyl 2-Oxospiro[Cyclopropane-1,3-Indoline]-2-Carboxylate,
ZINC75250214,
CS-0035454,
Ethyl (1R,2S)-2'-oxospiro[cyclopropane-1,3'-indoline]-2-carboxylate,
Racemic-(1r,2s)-ethyl 2'-oxospiro[cyclopropane-1,3'-indoline]-2-carboxylate,
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| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.251g/mol |
| Monoisotopic Mass | 231.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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