| CAS Number | 1694536-15-6 |
| Catalog Number | AG01BU6D(AGN-PC-0WGFWP) |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxy-2-methylpropanoic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxy-2-methylpropanoic acid |
| InChI | InChI=1S/C20H21NO5/c1-20(12-25-2,18(22)23)21-19(24)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,11-12H2,1-2H3,(H,21,24)(H,22,23) |
| InChI Key | TUVGBVYFOYCYBF-UHFFFAOYSA-N |
| MDL Number | MFCD28389358 |
| Molecular Formula | C20H21NO5 |
| Molecular Weight | 355.3844 |
| SMILES | COCC(C(O)=O)(NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C |
| Synonyms | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxy-2-methylpropanoic acid,
1694536-15-6,
AKOS026739886,
Z2768769156,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-methoxy-2-methylpropanoic acid,
|
| Complexity | 502 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.39g/mol |
| Monoisotopic Mass | 355.142g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number