| CAS Number | 204320-45-6 |
| Catalog Number | AG0029FA(AGN-PC-0WADDC) |
| Chemical Name | trans-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-3-phenylazetidine-2-carboxylic acid |
| IUPAC Name | (2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-phenylazetidine-2-carboxylic acid |
| InChI | InChI=1S/C25H21NO4/c27-24(28)23-21(16-8-2-1-3-9-16)14-26(23)25(29)30-15-22-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h1-13,21-23H,14-15H2,(H,27,28)/t21-,23+/m1/s1 |
| InChI Key | SQMOPSBYDIMJRP-GGAORHGYSA-N |
| MDL Number | MFCD00270201 |
| Molecular Formula | C25H21NO4 |
| Molecular Weight | 399.4385 |
| SMILES | C1=CC=C(C=C1)[C@H]2CN([C@@H]2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C53 |
| Synonyms | Fmoc-Trans-3-Phenylazetidine-2-Carboxylic Acid,
204320-45-6,
AC1Q71A3,
SCHEMBL7202660,
trans-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-3-phenylazetidine-2-carboxylic acid,
FMOC-TRANS-3-PHENYLAZETIDINE-2-CARBOXYLIC ACID (RACEMIC),
MFCD00270201,
ZINC14632662,
AKOS027325886,
Z5740,
Fmoc-trans-3-phenylazetidine-2-carboxylic acid, AldrichCPR,
C25H21NO4,
FMOC-TRANS-3-PHENYLAZETIDINE-2-CARBOXYLICACID,
Racemic Fmoc-trans-3-phenylazetidine-2-carboxylic acid,
|
| Complexity | 623 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 399.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 399.446g/mol |
| Monoisotopic Mass | 399.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
9
|
|
Hazard statements
|
H410
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P273
|
|
UN Code
|
UN 3077
|
Certificate of Analysis
Lot Number