| CAS Number | 801161-36-4 |
| Catalog Number | AG008NFV(AGN-PC-0WCZSS) |
| Chemical Name | 1-Phthalazinecarboxylic acid |
| IUPAC Name | phthalazine-1-carboxylic acid |
| InChI | InChI=1S/C9H6N2O2/c12-9(13)8-7-4-2-1-3-6(7)5-10-11-8/h1-5H,(H,12,13) |
| InChI Key | MLGFHJHBQIXXDW-UHFFFAOYSA-N |
| MDL Number | MFCD13193458 |
| Molecular Formula | C9H6N2O2 |
| Molecular Weight | 174.1561 |
| SMILES | C(=O)(O)c1c2c(cnn1)cccc2 |
| Synonyms | Phthalazine-1-carboxylic acid,
801161-36-4,
1-Phthalazinecarboxylic acid,
phthalazinecarboxylic,
SCHEMBL354115,
CTK8B9034,
DTXSID90506182,
2502AC,
ANW-61873,
ZINC39261639,
AKOS016004848,
FCH1186473,
RP23623,
AJ-99487,
BBV-39783685,
AX8208163,
TC-150618,
4CH-004475,
J-523959,
C9H6N2O2,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.159g/mol |
| Monoisotopic Mass | 174.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number