| CAS Number | 721418-37-7 |
| Catalog Number | AG00IC86 |
| Chemical Name | 3-hexyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid |
| IUPAC Name | 3-hexyl-4-oxophthalazine-1-carboxylic acid |
| InChI | InChI=1S/C15H18N2O3/c1-2-3-4-7-10-17-14(18)12-9-6-5-8-11(12)13(16-17)15(19)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,19,20) |
| InChI Key | JTIKTZBSXWRFHM-UHFFFAOYSA-N |
| MDL Number | MFCD03950772 |
| Molecular Formula | C15H18N2O3 |
| Molecular Weight | 274.3150 |
| SMILES | CCCCCCN1C(=O)C2=C(C=CC=C2)C(C(O)=O)=N1 |
| Synonyms | 3-hexyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid,
721418-37-7,
3-Hexyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid,
AC1M6E0Y,
AC1Q2WF3,
CTK6E1088,
ZINC3280975,
MFCD03950772,
AKOS008966857,
MCULE-8407680786,
NE43641,
3-hexyl-4-oxophthalazine-1-carboxylic acid,
EN300-04318,
Z56862309,
CID2396443,
3-hexyl-4-oxo-phthalazine-1-carboxylic Acid,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.32g/mol |
| Monoisotopic Mass | 274.132g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number