| CAS Number | 885274-82-8 |
| Catalog Number | AG0089GG(AGN-PC-0BSCCL) |
| Chemical Name | 2-(1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidin-4-ylidene)acetic acid |
| IUPAC Name | 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-ylidene]acetic acid |
| InChI | InChI=1S/C22H21NO4/c24-21(25)13-15-9-11-23(12-10-15)22(26)27-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,13,20H,9-12,14H2,(H,24,25) |
| InChI Key | BHZRISRNYKBAKP-UHFFFAOYSA-N |
| MDL Number | MFCD04115021 |
| Molecular Formula | C22H21NO4 |
| Molecular Weight | 363.4064 |
| SMILES | OC(/C=C1CCN(C(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)CC1)=O |
| Synonyms | 885274-82-8,
1-FMOC-4-CARBOXYMETHYLENE-PIPERIDINE,
2-(1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidin-4-ylidene)acetic acid,
2-(1-{[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}PIPERIDIN-4-YLIDENE)ACETIC ACID,
CTK5G0416,
DTXSID80722950,
ZINC2527212,
9840AH,
AB19470,
FCH2798730,
AJ-37884,
AX8024577,
DB-077606,
FT-0716660,
Z-7900,
(1-{[(9H-Fluoren-9-yl)methoxy]carbonyl}piperidin-4-ylidene)acetic acid,
1-Piperidinecarboxylicacid, 4-(carboxymethylene)-, 1-(9H-fluoren-9-ylmethyl) ester,
C22H21NO4,
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| Complexity | 569 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.413g/mol |
| Monoisotopic Mass | 363.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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