| CAS Number | 1160248-21-4 |
| Catalog Number | AG019ELF(AGN-PC-0WG4UZ) |
| Chemical Name | 3-(Tetrahydro-2H-pyran-4-yl)indoline-5-carboxylic acid |
| IUPAC Name | 3-(oxan-4-yl)-2,3-dihydro-1H-indole-5-carboxylic acid |
| InChI | InChI=1S/C14H17NO3/c16-14(17)10-1-2-13-11(7-10)12(8-15-13)9-3-5-18-6-4-9/h1-2,7,9,12,15H,3-6,8H2,(H,16,17) |
| InChI Key | MUXARBCAQJVQFW-UHFFFAOYSA-N |
| MDL Number | MFCD12198794 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | OC(=O)c1ccc2NCC(C3CCOCC3)c2c1 |
| Synonyms | 3-(Tetrahydro-2H-pyran-4-yl)indoline-5-carboxylic acid,
1160248-21-4,
MFCD12198794,
AKOS027428872,
AM805569,
CS-0038672,
3-(Tetrahydro-2H-pyran-4-yl)indoline-5-carboxylicacid,
3-(OXAN-4-YL)-2,3-DIHYDRO-1H-INDOLE-5-CARBOXYLIC ACID,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.294g/mol |
| Monoisotopic Mass | 247.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number