| CAS Number | 1781597-23-6 |
| Catalog Number | AG01EKN4 |
| Chemical Name | 5-((tert-Butoxycarbonyl)amino)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
| InChI | InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13-6-4-5-10-9-11(14(18)19)7-8-12(10)13/h7-9,13H,4-6H2,1-3H3,(H,17,20)(H,18,19) |
| InChI Key | VVSHRVDXXOYUJP-UHFFFAOYSA-N |
| MDL Number | MFCD31665079 |
| Molecular Formula | C16H21NO4 |
| Molecular Weight | 291.3422 |
| SMILES | CC(OC(NC1C2=C(C=C(C(O)=O)C=C2)CCC1)=O)(C)C |
| Synonyms | 5-{[(tert-butoxy)carbonyl]amino}-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid,
1781597-23-6,
|
| Complexity | 402 |
| 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 | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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