| CAS Number | 1269527-71-0 |
| Catalog Number | AG00HRM9(AGN-PC-0WCVN6) |
| Chemical Name | [3-(1-Naphthyl)-6-oxopyridazin-1(6h)-yl]acetic acid |
| IUPAC Name | 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetic acid |
| InChI | InChI=1S/C16H12N2O3/c19-15-9-8-14(17-18(15)10-16(20)21)13-7-3-5-11-4-1-2-6-12(11)13/h1-9H,10H2,(H,20,21) |
| InChI Key | NUXDIHHWPHFCEI-UHFFFAOYSA-N |
| MDL Number | MFCD18447011 |
| Molecular Formula | C16H12N2O3 |
| Molecular Weight | 280.2781 |
| SMILES | OC(CN1C(=O)C=CC(C2=C3C(C=CC=C3)=CC=C2)=N1)=O |
| Synonyms | 1269527-71-0,
2-(3-(naphthalen-1-yl)-6-oxopyridazin-1(6H)-yl)acetic acid,
[3-(1-Naphthyl)-6-oxopyridazin-1(6H)-yl]acetic acid,
2-[3-(naphthalen-1-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetic acid,
ALBB-028405,
MFCD18447011,
STL158109,
ZINC61719380,
AKOS005757579,
MCULE-4006776038,
NS-04594,
F1967-1113,
[3-(naphthalen-1-yl)-6-oxopyridazin-1(6H)-yl]acetic acid,
1(6H)-pyridazineacetic acid, 3-(1-naphthalenyl)-6-oxo-,
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetic acid,
|
| Complexity | 498 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.283g/mol |
| Monoisotopic Mass | 280.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number