| CAS Number | 554425-50-2 |
| Catalog Number | AG019I8J |
| Chemical Name | 4-oxo-3-pentyl-3,4-dihydrophthalazine-1-carboxylic acid |
| IUPAC Name | 4-oxo-3-pentylphthalazine-1-carboxylic acid |
| InChI | InChI=1S/C14H16N2O3/c1-2-3-6-9-16-13(17)11-8-5-4-7-10(11)12(15-16)14(18)19/h4-5,7-8H,2-3,6,9H2,1H3,(H,18,19) |
| InChI Key | QNAOZDDPIAUCHN-UHFFFAOYSA-N |
| MDL Number | MFCD03985195 |
| Molecular Formula | C14H16N2O3 |
| Molecular Weight | 260.2884 |
| SMILES | CCCCCN1C(=O)C2=C(C=CC=C2)C(C(O)=O)=N1 |
| Synonyms | 4-oxo-3-pentyl-3,4-dihydrophthalazine-1-carboxylic acid,
554425-50-2,
4-Oxo-3-pentyl-3,4-dihydro-phthalazine-1-carboxylic acid,
AC1M7DE3,
AC1Q2WK3,
CTK6E1380,
HMS1763K05,
ZINC3324550,
AKOS008966874,
MCULE-6046175513,
NE12764,
4-oxo-3-pentylphthalazine-1-carboxylic acid,
EN300-05978,
Z56915906,
CID2440044,
4-oxo-3-pentyl-phthalazine-1-carboxylic Acid,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.293g/mol |
| Monoisotopic Mass | 260.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number