| CAS Number | 180576-11-8 |
| Catalog Number | AG01BJEY(AGN-PC-0O5427) |
| Chemical Name | 2-((2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)thio)acetic acid |
| IUPAC Name | 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylsulfanyl]acetic acid |
| InChI | InChI=1S/C19H19NO4S/c21-18(22)12-25-10-9-20-19(23)24-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,20,23)(H,21,22) |
| InChI Key | ZXLLBDQWPUFJGL-UHFFFAOYSA-N |
| MDL Number | MFCD31592578 |
| Molecular Formula | C19H19NO4S |
| Molecular Weight | 357.4235 |
| SMILES | O=C(O)CSCCNC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O |
| Synonyms | 2-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]sulfanyl}acetic acid,
180576-11-8,
AKOS033594771,
ZINC217821752,
Z1805585657,
|
| Complexity | 450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.424g/mol |
| Monoisotopic Mass | 357.103g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number