| CAS Number | 1346753-09-0 |
| Catalog Number | AG009FV3(AGN-PC-0WNHAJ) |
| Chemical Name | 2-(9-Oxoxanthen-2-yl)propionic Acid 1,5,7-Triazabicyclo[4.4.0]dec-5-ene Salt |
| IUPAC Name | 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2-(9-oxoxanthen-2-yl)propanoic acid |
| InChI | InChI=1S/C16H12O4.C7H13N3/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-14;1-3-8-7-9-4-2-6-10(7)5-1/h2-9H,1H3,(H,18,19);1-6H2,(H,8,9) |
| InChI Key | NHCZYSDZAMNWGB-UHFFFAOYSA-N |
| MDL Number | MFCD27976833 |
| Molecular Formula | C23H25N3O4 |
| Molecular Weight | 407.4623 |
| SMILES | C1CNC2=NCCCN2C1.CC(C(O)=O)C1=CC=C2OC3=CC=CC=C3C(=O)C2=C1 |
| Synonyms | 2-(9-Oxoxanthen-2-yl)propionic Acid 1,5,7-Triazabicyclo[4.4.0]dec-5-ene Salt,
1346753-09-0,
SCHEMBL17710547,
MFCD27976833,
|
| Complexity | 558 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 407.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 407.47g/mol |
| Monoisotopic Mass | 407.185g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number