| CAS Number | 669058-18-8 |
| Catalog Number | AG00IBNO(AGN-PC-0TML1P) |
| Chemical Name | Methyl 3-([(9h-fluoren-9-ylmethoxy)carbonyl]amino)propanoate |
| IUPAC Name | methyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate |
| InChI | InChI=1S/C19H19NO4/c1-23-18(21)10-11-20-19(22)24-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,20,22) |
| InChI Key | RRYWFJOOIDGEBF-UHFFFAOYSA-N |
| MDL Number | MFCD18328524 |
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.3585 |
| SMILES | COC(=O)CCNC(=O)OCC1c2ccccc2-c2c1cccc2 |
| Synonyms | 669058-18-8,
Methyl 3-([(9h-fluoren-9-ylmethoxy)carbonyl]amino)propanoate,
SCHEMBL6187733,
ZINC70916012,
AKOS012614269,
b-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, methyl ester,
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| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.131408g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.4g/mol |
| Monoisotopic Mass | 325.131408g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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