| CAS Number | 149506-00-3 |
| Catalog Number | AG01BXRI(AGN-PC-0Q3ES7) |
| Chemical Name | 2-{[(tert-butoxy)carbonyl]amino}-2,3-dihydro-1H-indene-5-carboxylic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid |
| InChI | InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-12-7-9-4-5-10(13(17)18)6-11(9)8-12/h4-6,12H,7-8H2,1-3H3,(H,16,19)(H,17,18) |
| InChI Key | TVCUVBOXXTUJEA-UHFFFAOYSA-N |
| MDL Number | MFCD24467187 |
| Molecular Formula | C15H19NO4 |
| Molecular Weight | 277.3157 |
| SMILES | CC(OC(NC1CC2=C(C=CC(C(O)=O)=C2)C1)=O)(C)C |
| Synonyms | 2-{[(tert-butoxy)carbonyl]amino}-2,3-dihydro-1H-indene-5-carboxylic acid,
149506-00-3,
SCHEMBL6642055,
TVCUVBOXXTUJEA-UHFFFAOYSA-N,
AKOS033980900,
2-(tert-butoxycarbonylamino)-5-carboxyindan,
Z2689367888,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.32g/mol |
| Monoisotopic Mass | 277.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number