| CAS Number | 855005-12-8 |
| Catalog Number | AG00J0AD(AGN-PC-0V0W5Z) |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4,5-dimethoxybenzoic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,5-dimethoxybenzoic acid |
| InChI | InChI=1S/C24H21NO6/c1-29-21-11-18(23(26)27)20(12-22(21)30-2)25-24(28)31-13-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-12,19H,13H2,1-2H3,(H,25,28)(H,26,27) |
| InChI Key | QTKHOIFQEMJVHE-UHFFFAOYSA-N |
| MDL Number | MFCD02682187 |
| Molecular Formula | C24H21NO6 |
| Molecular Weight | 419.4266 |
| SMILES | COC1=C(OC)C=C(C(O)=O)C(NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)=C1 |
| Synonyms | 2-N-Fmoc-amino-4,5-dimethoxybenzoic acid,
855005-12-8,
Fmoc-2-amino-4,5-dimethoxybenzoic acid,
NFmocaminodimethoxybenzoicacid,
SCHEMBL3209142,
CTK8F9873,
KS-00002B2H,
ZINC2582937,
MFCD02682187,
AKOS005073848,
AB12208,
RP17228,
SS-3850,
Fmoc-2-amino-4,5-dimethoxybenzoic acid, AldrichCPR,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4,5-dimethoxybenzoic acid,
|
| Complexity | 620 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 419.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 419.433g/mol |
| Monoisotopic Mass | 419.137g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 94.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number