| CAS Number | 1360547-53-0 |
| Catalog Number | AG01FBZ9(AGN-PC-3H49KG) |
| Chemical Name | 2-(((tert-Butoxycarbonyl)amino)methyl)-2,3-dihydro-1H-indene-2-carboxylic acid |
| IUPAC Name | 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-dihydroindene-2-carboxylic acid |
| InChI | InChI=1S/C16H21NO4/c1-15(2,3)21-14(20)17-10-16(13(18)19)8-11-6-4-5-7-12(11)9-16/h4-7H,8-10H2,1-3H3,(H,17,20)(H,18,19) |
| InChI Key | KBEKLIXEPFQAMO-UHFFFAOYSA-N |
| MDL Number | MFCD21602364 |
| Molecular Formula | C16H21NO4 |
| Molecular Weight | 291.3422 |
| SMILES | O=C(OC(C)(C)C)NCC1(Cc2c(C1)cccc2)C(=O)O |
| Synonyms | 2-Bocaminomethyl-indan-2-carboxylic acid,
1360547-53-0,
2-(((tert-Butoxycarbonyl)amino)methyl)-2,3-dihydro-1H-indene-2-carboxylic acid,
MFCD21602364,
ZINC95634865,
AKOS015996833,
2-Bocaminomethyl-indan-2-carboxylicacid,
2-((tert-Butoxycarbonylamino)methyl)-2,3-dihydro-1H-indene-2-carboxylic acid,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.347g/mol |
| Monoisotopic Mass | 291.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number