| CAS Number | 1341035-02-6 |
| Catalog Number | AG00HT6D(AGN-PC-0WG4JN) |
| Chemical Name | (1R,3S)-2'-oxo-1',2'-dihydrospiro[cyclopropane-1,3'-indole]-3-carboxylic acid |
| IUPAC Name | (1'S,3R)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylic acid |
| InChI | InChI=1S/C11H9NO3/c13-9(14)7-5-11(7)6-3-1-2-4-8(6)12-10(11)15/h1-4,7H,5H2,(H,12,15)(H,13,14)/t7-,11+/m1/s1 |
| InChI Key | WQBMGVVIMKVWJT-HQJQHLMTSA-N |
| MDL Number | MFCD28390497 |
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.1941 |
| SMILES | OC(=O)[C@H]1C[C@@]11C(=O)Nc2ccccc12 |
| Synonyms | 1341035-02-6,
Racemic-(1R,2S)-2-Oxospiro[Cyclopropane-1,3-Indoline]-2-Carboxylic Acid,
ZINC84249772,
AJ-126214,
CS-0037167,
(1'S,3R)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylic acid,
Racemic-(1r,2s)-2'-oxospiro[cyclopropane-1,3'-indoline]-2-carboxylic acid,
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| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.197g/mol |
| Monoisotopic Mass | 203.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number