| CAS Number | 404032-35-5 |
| Catalog Number | AG00CQTA(AGN-PC-03OPOD) |
| Chemical Name | 3-(2-((tert-Butoxycarbonyl)amino)ethoxy)benzoic acid |
| IUPAC Name | 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoic acid |
| InChI | InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-7-8-19-11-6-4-5-10(9-11)12(16)17/h4-6,9H,7-8H2,1-3H3,(H,15,18)(H,16,17) |
| InChI Key | RXSRVVCYGGAPNJ-UHFFFAOYSA-N |
| MDL Number | MFCD11974228 |
| Molecular Formula | C14H19NO5 |
| Molecular Weight | 281.3044 |
| SMILES | C(C)(C)(C)OC(=O)NCCOC=1C=C(C(=O)O)C=CC1 |
| Synonyms | 404032-35-5,
3-{2-[(tert-butoxycarbonyl)amino]ethoxy}benzoic acid,
A1-01053,
3-(2-((tert-Butoxycarbonyl)amino)ethoxy)benzoic acid,
3-(2-(tert-butoxycarbonylamino)ethoxy)benzoic acid,
3-[2-(tert-Butoxycarbonylamino)ethoxy]benzoic acid,
SCHEMBL613521,
CTK1C9659,
DTXSID40625458,
RXSRVVCYGGAPNJ-UHFFFAOYSA-N,
AKOS023721803,
3-[2-(Boc-amino)ethyloxy]benzoic acid,
Benzoic acid, 3-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]-,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.308g/mol |
| Monoisotopic Mass | 281.126g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number