| CAS Number | 1321843-22-4 |
| Catalog Number | AG019ZSX(AGN-PC-0WOFDT) |
| Chemical Name | 2-{1-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-indol-3-yl}acetic acid |
| IUPAC Name | 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid |
| InChI | InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-10(8-13(17)18)11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H,17,18) |
| InChI Key | PPVKBEWRGPFIIJ-UHFFFAOYSA-N |
| MDL Number | MFCD21983583 |
| Molecular Formula | C15H19NO4 |
| Molecular Weight | 277.3157 |
| SMILES | O=C(O)CC1CN(C(OC(C)(C)C)=O)C2=C1C=CC=C2 |
| Synonyms | 1321843-22-4,
2-{1-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-indol-3-yl}acetic acid,
SCHEMBL3956185,
PPVKBEWRGPFIIJ-UHFFFAOYSA-N,
AKOS019067213,
(+)-(1-tert-Butoxycarbonyl-2,3-dihydro-1H-indol-3-yl)acetic acid,
(1-t-butoxycarbonyl-2,3-dihydro-1H-indol-3-yl)acetic acid,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.32g/mol |
| Monoisotopic Mass | 277.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number