| CAS Number | 892878-63-6 |
| Catalog Number | AG00GRD7(AGN-PC-0WC246) |
| Chemical Name | Fmoc-4-amino-3-methylbenzoic Acid |
| IUPAC Name | 4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbenzoic acid |
| InChI | InChI=1S/C23H19NO4/c1-14-12-15(22(25)26)10-11-21(14)24-23(27)28-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-12,20H,13H2,1H3,(H,24,27)(H,25,26) |
| InChI Key | AEMDMIXDWRNKND-UHFFFAOYSA-N |
| MDL Number | MFCD02682226 |
| Molecular Formula | C23H19NO4 |
| Molecular Weight | 373.4013 |
| SMILES | O=C(O)C1=CC=C(NC(OCC2C3=CC=CC=C3C4=CC=CC=C24)=O)C(C)=C1 |
| Synonyms | Fmoc-4-amino-3-methylbenzoic acid,
892878-63-6,
4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylbenzoic acid,
4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-methylbenzoic acid,
SCHEMBL3209189,
CTK8F9896,
ZINC2582976,
2264AF,
AKOS012711502,
Fmoc-4-amino-3-methylbenzoic acid, AldrichCPR,
C23H19NO4,
|
| Complexity | 557 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 373.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.408g/mol |
| Monoisotopic Mass | 373.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number