| CAS Number | 162545-29-1 |
| Catalog Number | AG01AJMB(AGN-PC-0WODT8) |
| Chemical Name | 2-{Ethyl[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid |
| IUPAC Name | 2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid |
| InChI | InChI=1S/C19H19NO4/c1-2-20(11-18(21)22)19(23)24-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,2,11-12H2,1H3,(H,21,22) |
| InChI Key | JMRZSLGQRNZKJI-UHFFFAOYSA-N |
| MDL Number | MFCD18328448 |
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.3585 |
| SMILES | O=C(O)CN(CC)C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O |
| Synonyms | 2-{ethyl[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid,
162545-29-1,
ZINC70915532,
AKOS012614337,
MCULE-2220342993,
NE53298,
Z1740753752,
2-[ethyl({[(9H-fluoren-9-yl)methoxy]carbonyl})amino]acetic acid,
|
| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.364g/mol |
| Monoisotopic Mass | 325.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number