| CAS Number | 1803562-58-4 |
| Catalog Number | AG01AFBL(AGN-PC-0WO4AF) |
| Chemical Name | 8-[(9H-Fluoren-9-ylmethoxy)carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid |
| IUPAC Name | 8-(9H-fluoren-9-ylmethoxycarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid |
| InChI | InChI=1S/C23H22N2O5/c26-21(27)20-13-23(30-24-20)9-11-25(12-10-23)22(28)29-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,26,27) |
| InChI Key | HJMIGJGBCMNOGF-UHFFFAOYSA-N |
| MDL Number | MFCD27500800 |
| Molecular Formula | C23H22N2O5 |
| Molecular Weight | 406.4312 |
| SMILES | OC(C1CC2(CCN(C(OCC3C4=C(C=CC=C4)C4=C3C=CC=C4)=O)CC2)ON=1)=O |
| Synonyms | 8-[(9H-fluoren-9-ylmethoxy)carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid,
1803562-58-4,
ZINC95883815,
AKOS026727489,
NE26431,
EN300-153025,
8-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid,
|
| Complexity | 692 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 406.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.438g/mol |
| Monoisotopic Mass | 406.153g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Lot Number