| CAS Number | 2109805-75-4 |
| Catalog Number | AG01EOJV(AGN-PC-3H46EH) |
| Chemical Name | CU-CPT17e |
| IUPAC Name | 6,7-bis[(4-nitrophenyl)methoxy]spiro[chromene-2,4'-oxane] |
| InChI | InChI=1S/C27H24N2O8/c30-28(31)22-5-1-19(2-6-22)17-35-25-15-21-9-10-27(11-13-34-14-12-27)37-24(21)16-26(25)36-18-20-3-7-23(8-4-20)29(32)33/h1-10,15-16H,11-14,17-18H2 |
| InChI Key | LHTNFHWDTHQECR-UHFFFAOYSA-N |
| MDL Number | MFCD31692328 |
| Molecular Formula | C27H24N2O8 |
| Molecular Weight | 504.4881 |
| SMILES | [N+](=O)([O-])C1=CC=C(COC=2C=C3C=CC4(CCOCC4)OC3=CC2OCC2=CC=C(C=C2)[N+](=O)[O-])C=C1 |
| Synonyms | CU-CPT17e,
2109805-75-4,
CHEMBL4074408,
AKOS032953958,
HY-101929,
CS-0022184,
|
| Complexity | 804 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 504.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 504.495g/mol |
| Monoisotopic Mass | 504.153g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number